6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane

C130H167FN24O7 — CID 157233828

IUPAC6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane
SMILESC.C.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(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.NCCC[C@@H](N)CNC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C24H32N4O.C21H25FN4O.C21H26N4O2.2C21H26N4O.C20H24N4O.2CH4/c1-24(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;1-13-4-5-14(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;2*1-14-4-6-15(7-5-14)16-8-9-17-12-20(25-19(17)11-16)21(26)24-13-18(23)3-2-10-22;21-10-4-7-17(22)13-23-20(25)19-12-16-9-8-15(11-18(16)24-19)14-5-2-1-3-6-14;;/h6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);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);2*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);1-3,5-6,8-9,11-12,17,24H,4,7,10,13,21-22H2,(H,23,25);2*1H4/t20-;2*17-;2*18-;17-;;/m000111../s1
InChIKeyAUKDPVVENPGGPT-RSYKHJKJSA-N
MW2196.92 g/mol
LogP19.43
Rot. Bonds43

About 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane

6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane (PubChem CID 157233828) has the molecular formula C130H167FN24O7 and a molecular weight of 2196.92 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane
PubChem CID157233828
Molecular FormulaC130H167FN24O7
Molecular Weight2196.92 g/mol
Exact Mass2195.34
IUPAC Name6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane
SMILESC.C.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(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.NCCC[C@@H](N)CNC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C24H32N4O.C21H25FN4O.C21H26N4O2.2C21H26N4O.C20H24N4O.2CH4/c1-24(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;1-13-4-5-14(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;2*1-14-4-6-15(7-5-14)16-8-9-17-12-20(25-19(17)11-16)21(26)24-13-18(23)3-2-10-22;21-10-4-7-17(22)13-23-20(25)19-12-16-9-8-15(11-18(16)24-19)14-5-2-1-3-6-14;;/h6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);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);2*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);1-3,5-6,8-9,11-12,17,24H,4,7,10,13,21-22H2,(H,23,25);2*1H4/t20-;2*17-;2*18-;17-;;/m000111../s1
InChIKeyAUKDPVVENPGGPT-RSYKHJKJSA-N
XLogP19.43
TPSA590.81 Ų
H-Bond Donors24
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002196.92
LogP ≤ 519.43
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1019

Analyze 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane 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-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane?
The IUPAC name of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane (CID 157233828) is 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane.
What is the SMILES notation for 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane?
The canonical SMILES for 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane is C.C.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(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@H](N)CCCN)[nH]c3c2)cc1.NCCC[C@@H](N)CNC(=O)c1cc2ccc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane?
The InChIKey is AUKDPVVENPGGPT-RSYKHJKJSA-N. The full InChI is InChI=1S/C24H32N4O.C21H25FN4O.C21H26N4O2.2C21H26N4O.C20H24N4O.2CH4/c1-24(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;1-13-4-5-14(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;2*1-14-4-6-15(7-5-14)16-8-9-17-12-20(25-19(17)11-16)21(26)24-13-18(23)3-2-10-22;21-10-4-7-17(22)13-23-20(25)19-12-16-9-8-15(11-18(16)24-19)14-5-2-1-3-6-14;;/h6-11,13-14,20,28H,4-5,12,15,25-26H2,1-3H3,(H,27,29);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);2*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);1-3,5-6,8-9,11-12,17,24H,4,7,10,13,21-22H2,(H,23,25);2*1H4/t20-;2*17-;2*18-;17-;;/m000111../s1.
What are the key properties of 6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane?
6-(4-tert-butylphenyl)-N-[(2S)-2,5-diaminopentyl]-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-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane has a molecular weight of 2196.92 g/mol, XLogP of 19.43, 43 rotatable bonds, 24 hydrogen bond donors, and 19 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-diaminopentyl]-6-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methoxyphenyl)-1H-indole-2-carboxamide;bis(N-[(2R)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide);N-[(2R)-2,5-diaminopentyl]-6-phenyl-1H-indole-2-carboxamide;methane is sourced from PubChem (CID 157233828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).