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

C106H132N20O5 — CID 159267184

IUPACN-[(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)CCCN)[nH]c3c2)cc1
InChIInChI=1S/C22H28N4O.4C21H26N4O/c1-15-4-6-16(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/h4-9,11,13,19,25H,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)/t19-;2*18-;2*17-/m00000/s1
InChIKeyKXGHAUPYESFDCU-VHTLKDJASA-N
MW1766.36 g/mol
LogP14.63
Rot. Bonds36

About 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-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 159267184) has the molecular formula C106H132N20O5 and a molecular weight of 1766.36 g/mol. Its IUPAC name is 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-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 CID159267184
Molecular FormulaC106H132N20O5
Molecular Weight1766.36 g/mol
Exact Mass1765.07
IUPAC NameN-[(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)CCCN)[nH]c3c2)cc1
InChIInChI=1S/C22H28N4O.4C21H26N4O/c1-15-4-6-16(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/h4-9,11,13,19,25H,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)/t19-;2*18-;2*17-/m00000/s1
InChIKeyKXGHAUPYESFDCU-VHTLKDJASA-N
XLogP14.63
TPSA484.65 Ų
H-Bond Donors20
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001766.36
LogP ≤ 514.63
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1015

Analyze 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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Related Compounds

GR 94800
CID 5487475
Ruxotemitide
CID 46200994
Men-10930
CID 9916428
X1-Apc-DPhe-Arg-Trp-Z10-NH2
CID 11571540
Cationic Antimicrobial Peptide
CID 18628287
Substance P [DArg1, DTrp5,7,9, Leu11]
CID 124081652
5-benzamido-N-[2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
CID 13996338
Bz-Ala-Ala-Trp-Phe-Pro-Pro-Nle-NH2
CID 44302816
CID 134145808
CID 134145808
substance P (4-11), Pro(4)-Trp-(7,9,10)-Phe(11)-
CID 16131296
X3-Apc-DPhe-Arg-Trp-Z8-NH2
CID 44405793
X3-Apc-DPhe-Arg-Trp-Z9-NH2
CID 44405857

Frequently Asked Questions

What is the IUPAC name of 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-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 159267184) is 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-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-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)CCCN)[nH]c3c2)cc1.
What is the InChIKey of 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 KXGHAUPYESFDCU-VHTLKDJASA-N. The full InChI is InChI=1S/C22H28N4O.4C21H26N4O/c1-15-4-6-16(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/h4-9,11,13,19,25H,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)/t19-;2*18-;2*17-/m00000/s1.
What are the key properties of 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-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 1766.36 g/mol, XLogP of 14.63, 36 rotatable bonds, 20 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 159267184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).