N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide

C14H17N3O2 — CID 103896359

IUPACN-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
SMILESNC(=O)CCCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17N3O2/c15-13(18)3-1-2-7-17-14(19)11-4-5-12-10(9-11)6-8-16-12/h4-6,8-9,16H,1-3,7H2,(H2,15,18)(H,17,19)
InChIKeyPQUHJXRLXXMPRV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.55
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide

N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide (PubChem CID 103896359) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
PubChem CID103896359
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
SMILESNC(=O)CCCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17N3O2/c15-13(18)3-1-2-7-17-14(19)11-4-5-12-10(9-11)6-8-16-12/h4-6,8-9,16H,1-3,7H2,(H2,15,18)(H,17,19)
InChIKeyPQUHJXRLXXMPRV-UHFFFAOYSA-N
XLogP1.55
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 63748597

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide (CID 103896359) is N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide is NC(=O)CCCCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide?
The InChIKey is PQUHJXRLXXMPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-13(18)3-1-2-7-17-14(19)11-4-5-12-10(9-11)6-8-16-12/h4-6,8-9,16H,1-3,7H2,(H2,15,18)(H,17,19).
What are the key properties of N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide?
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 103896359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).