N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide

C130H164N24O6 — CID 159044957

IUPACN-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide
SMILESCc1ccc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCCN)cc3c2)cc1.Cc1ccc(-c2ccc3[nH]cc(C(=O)NC[C@@H](N)CCCN)c3c2)cc1.Cc1ccc(-c2ccc3[nH]cc(CC(=O)NC[C@@H](N)CCCN)c3c2)cc1.Cc1ccc(-c2ccc3c(C(=O)NC[C@@H](N)CCCN)c[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCC(N)C(C)C)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1
InChIInChI=1S/C24H32N4O.C22H28N4O.4C21H26N4O/c1-15(2)21(26)11-10-20(25)14-27-24(29)23-13-19-9-8-18(12-22(19)28-23)17-6-4-16(3)5-7-17;1-15-4-6-16(7-5-15)17-8-9-21-20(11-17)18(13-25-21)12-22(27)26-14-19(24)3-2-10-23;1-14-4-6-15(7-5-14)16-8-9-19-17(11-16)12-20(25-19)21(26)24-13-18(23)3-2-10-22;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;1-14-4-6-15(7-5-14)16-8-9-20-18(11-16)19(13-24-20)21(26)25-12-17(23)3-2-10-22;1-14-4-6-15(7-5-14)16-8-9-18-19(13-24-20(18)11-16)21(26)25-12-17(23)3-2-10-22/h4-9,12-13,15,20-21,28H,10-11,14,25-26H2,1-3H3,(H,27,29);4-9,11,13,19,25H,2-3,10,12,14,23-24H2,1H3,(H,26,27);2*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);2*4-9,11,13,17,24H,2-3,10,12,22-23H2,1H3,(H,25,26)/t20-,21?;19-;2*18-;2*17-/m000000/s1
InChIKeyJWNOPALWUJYHIZ-VBHQBBCWSA-N
MW2158.90 g/mol
LogP18.59
Rot. Bonds44

About N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide

N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide (PubChem CID 159044957) has the molecular formula C130H164N24O6 and a molecular weight of 2158.90 g/mol. Its IUPAC name is N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide
PubChem CID159044957
Molecular FormulaC130H164N24O6
Molecular Weight2158.90 g/mol
Exact Mass2157.33
IUPAC NameN-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide
SMILESCc1ccc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCCN)cc3c2)cc1.Cc1ccc(-c2ccc3[nH]cc(C(=O)NC[C@@H](N)CCCN)c3c2)cc1.Cc1ccc(-c2ccc3[nH]cc(CC(=O)NC[C@@H](N)CCCN)c3c2)cc1.Cc1ccc(-c2ccc3c(C(=O)NC[C@@H](N)CCCN)c[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCC(N)C(C)C)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1
InChIInChI=1S/C24H32N4O.C22H28N4O.4C21H26N4O/c1-15(2)21(26)11-10-20(25)14-27-24(29)23-13-19-9-8-18(12-22(19)28-23)17-6-4-16(3)5-7-17;1-15-4-6-16(7-5-15)17-8-9-21-20(11-17)18(13-25-21)12-22(27)26-14-19(24)3-2-10-23;1-14-4-6-15(7-5-14)16-8-9-19-17(11-16)12-20(25-19)21(26)24-13-18(23)3-2-10-22;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;1-14-4-6-15(7-5-14)16-8-9-20-18(11-16)19(13-24-20)21(26)25-12-17(23)3-2-10-22;1-14-4-6-15(7-5-14)16-8-9-18-19(13-24-20(18)11-16)21(26)25-12-17(23)3-2-10-22/h4-9,12-13,15,20-21,28H,10-11,14,25-26H2,1-3H3,(H,27,29);4-9,11,13,19,25H,2-3,10,12,14,23-24H2,1H3,(H,26,27);2*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);2*4-9,11,13,17,24H,2-3,10,12,22-23H2,1H3,(H,25,26)/t20-,21?;19-;2*18-;2*17-/m000000/s1
InChIKeyJWNOPALWUJYHIZ-VBHQBBCWSA-N
XLogP18.59
TPSA581.58 Ų
H-Bond Donors24
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.90
LogP ≤ 518.59
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1018

Analyze N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide (CID 159044957) is N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide is Cc1ccc(-c2ccc3[nH]c(C(=O)NC[C@@H](N)CCCN)cc3c2)cc1.Cc1ccc(-c2ccc3[nH]cc(C(=O)NC[C@@H](N)CCCN)c3c2)cc1.Cc1ccc(-c2ccc3[nH]cc(CC(=O)NC[C@@H](N)CCCN)c3c2)cc1.Cc1ccc(-c2ccc3c(C(=O)NC[C@@H](N)CCCN)c[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCC(N)C(C)C)[nH]c3c2)cc1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)cc1.
What is the InChIKey of N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide?
The InChIKey is JWNOPALWUJYHIZ-VBHQBBCWSA-N. The full InChI is InChI=1S/C24H32N4O.C22H28N4O.4C21H26N4O/c1-15(2)21(26)11-10-20(25)14-27-24(29)23-13-19-9-8-18(12-22(19)28-23)17-6-4-16(3)5-7-17;1-15-4-6-16(7-5-15)17-8-9-21-20(11-17)18(13-25-21)12-22(27)26-14-19(24)3-2-10-23;1-14-4-6-15(7-5-14)16-8-9-19-17(11-16)12-20(25-19)21(26)24-13-18(23)3-2-10-22;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;1-14-4-6-15(7-5-14)16-8-9-20-18(11-16)19(13-24-20)21(26)25-12-17(23)3-2-10-22;1-14-4-6-15(7-5-14)16-8-9-18-19(13-24-20(18)11-16)21(26)25-12-17(23)3-2-10-22/h4-9,12-13,15,20-21,28H,10-11,14,25-26H2,1-3H3,(H,27,29);4-9,11,13,19,25H,2-3,10,12,14,23-24H2,1H3,(H,26,27);2*4-9,11-12,18,25H,2-3,10,13,22-23H2,1H3,(H,24,26);2*4-9,11,13,17,24H,2-3,10,12,22-23H2,1H3,(H,25,26)/t20-,21?;19-;2*18-;2*17-/m000000/s1.
What are the key properties of N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide?
N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide has a molecular weight of 2158.90 g/mol, XLogP of 18.59, 44 rotatable bonds, 24 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-5-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-2-[5-(4-methylphenyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 159044957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).