6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide

C139H171F3N24O7 — CID 159380418

IUPAC6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.COc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCC(N)C(C)C)cc3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)n(C)c3c2)cc1.NCCC[C@H](N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2n1Cc1ccc(F)cc1
InChIInChI=1S/C27H28F2N4O.2C24H32N4O.C22H28N4O.C21H25FN4O.C21H26N4O2/c28-22-9-3-18(4-10-22)17-33-25-14-20(19-7-11-23(29)12-8-19)5-6-21(25)15-26(33)27(34)32-16-24(31)2-1-13-30;1-15(2)21(26)10-9-20(25)14-27-24(29)23-13-19-12-18(8-11-22(19)28-23)17-6-4-16(3)5-7-17;1-24(2,3)19-10-8-16(9-11-19)17-6-7-18-14-22(28-21(18)13-17)23(29)27-15-20(26)5-4-12-25;1-15-5-7-16(8-6-15)17-9-10-18-13-21(26(2)20(18)12-17)22(27)25-14-19(24)4-3-11-23;1-13-4-5-14(9-18(13)22)15-6-7-16-11-20(26-19(16)10-15)21(27)25-12-17(24)3-2-8-23;1-27-18-8-6-14(7-9-18)15-4-5-16-12-20(25-19(16)11-15)21(26)24-13-17(23)3-2-10-22/h3-12,14-15,24H,1-2,13,16-17,30-31H2,(H,32,34);4-8,11-13,15,20-21,28H,9-10,14,25-26H2,1-3H3,(H,27,29);6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);5-10,12-13,19H,3-4,11,14,23-24H2,1-2H3,(H,25,27);4-7,9-11,17,26H,2-3,8,12,23-24H2,1H3,(H,25,27);4-9,11-12,17,25H,2-3,10,13,22-23H2,1H3,(H,24,26)/t24-;20-,21?;20-;19-;2*17-/m000000/s1
InChIKeyLKVILOITGNIBOH-NPZMVZDHSA-N
MW2347.05 g/mol
LogP20.99
Rot. Bonds46

About 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide

6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide (PubChem CID 159380418) has the molecular formula C139H171F3N24O7 and a molecular weight of 2347.05 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide
PubChem CID159380418
Molecular FormulaC139H171F3N24O7
Molecular Weight2347.05 g/mol
Exact Mass2345.37
IUPAC Name6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.COc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCC(N)C(C)C)cc3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)n(C)c3c2)cc1.NCCC[C@H](N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2n1Cc1ccc(F)cc1
InChIInChI=1S/C27H28F2N4O.2C24H32N4O.C22H28N4O.C21H25FN4O.C21H26N4O2/c28-22-9-3-18(4-10-22)17-33-25-14-20(19-7-11-23(29)12-8-19)5-6-21(25)15-26(33)27(34)32-16-24(31)2-1-13-30;1-15(2)21(26)10-9-20(25)14-27-24(29)23-13-19-12-18(8-11-22(19)28-23)17-6-4-16(3)5-7-17;1-24(2,3)19-10-8-16(9-11-19)17-6-7-18-14-22(28-21(18)13-17)23(29)27-15-20(26)5-4-12-25;1-15-5-7-16(8-6-15)17-9-10-18-13-21(26(2)20(18)12-17)22(27)25-14-19(24)4-3-11-23;1-13-4-5-14(9-18(13)22)15-6-7-16-11-20(26-19(16)10-15)21(27)25-12-17(24)3-2-8-23;1-27-18-8-6-14(7-9-18)15-4-5-16-12-20(25-19(16)11-15)21(26)24-13-17(23)3-2-10-22/h3-12,14-15,24H,1-2,13,16-17,30-31H2,(H,32,34);4-8,11-13,15,20-21,28H,9-10,14,25-26H2,1-3H3,(H,27,29);6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);5-10,12-13,19H,3-4,11,14,23-24H2,1-2H3,(H,25,27);4-7,9-11,17,26H,2-3,8,12,23-24H2,1H3,(H,25,27);4-9,11-12,17,25H,2-3,10,13,22-23H2,1H3,(H,24,26)/t24-;20-,21?;20-;19-;2*17-/m000000/s1
InChIKeyLKVILOITGNIBOH-NPZMVZDHSA-N
XLogP20.99
TPSA569.09 Ų
H-Bond Donors22
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002347.05
LogP ≤ 520.99
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1021

Analyze 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide?
The IUPAC name of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide (CID 159380418) is 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide.
What is the SMILES notation for 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide?
The canonical SMILES for 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide is CC(C)(C)c1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.COc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCC(N)C(C)C)cc3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)n(C)c3c2)cc1.NCCC[C@H](N)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2n1Cc1ccc(F)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide?
The InChIKey is LKVILOITGNIBOH-NPZMVZDHSA-N. The full InChI is InChI=1S/C27H28F2N4O.2C24H32N4O.C22H28N4O.C21H25FN4O.C21H26N4O2/c28-22-9-3-18(4-10-22)17-33-25-14-20(19-7-11-23(29)12-8-19)5-6-21(25)15-26(33)27(34)32-16-24(31)2-1-13-30;1-15(2)21(26)10-9-20(25)14-27-24(29)23-13-19-12-18(8-11-22(19)28-23)17-6-4-16(3)5-7-17;1-24(2,3)19-10-8-16(9-11-19)17-6-7-18-14-22(28-21(18)13-17)23(29)27-15-20(26)5-4-12-25;1-15-5-7-16(8-6-15)17-9-10-18-13-21(26(2)20(18)12-17)22(27)25-14-19(24)4-3-11-23;1-13-4-5-14(9-18(13)22)15-6-7-16-11-20(26-19(16)10-15)21(27)25-12-17(24)3-2-8-23;1-27-18-8-6-14(7-9-18)15-4-5-16-12-20(25-19(16)11-15)21(26)24-13-17(23)3-2-10-22/h3-12,14-15,24H,1-2,13,16-17,30-31H2,(H,32,34);4-8,11-13,15,20-21,28H,9-10,14,25-26H2,1-3H3,(H,27,29);6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);5-10,12-13,19H,3-4,11,14,23-24H2,1-2H3,(H,25,27);4-7,9-11,17,26H,2-3,8,12,23-24H2,1H3,(H,25,27);4-9,11-12,17,25H,2-3,10,13,22-23H2,1H3,(H,24,26)/t24-;20-,21?;20-;19-;2*17-/m000000/s1.
What are the key properties of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide?
6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide has a molecular weight of 2347.05 g/mol, XLogP of 20.99, 46 rotatable bonds, 22 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diamino-6-methylheptyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-1-methyl-6-(4-methylphenyl)indole-2-carboxamide is sourced from PubChem (CID 159380418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).