N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide

C15H16N4O — CID 22139224

IUPACN-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccc2cc[nH]c12
InChIInChI=1S/C15H16N4O/c20-15(18-6-2-9-19-10-8-16-11-19)13-4-1-3-12-5-7-17-14(12)13/h1,3-5,7-8,10-11,17H,2,6,9H2,(H,18,20)
InChIKeyCGISAFOTAWCOKK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.18
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide

N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide (PubChem CID 22139224) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
PubChem CID22139224
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cccc2cc[nH]c12
InChIInChI=1S/C15H16N4O/c20-15(18-6-2-9-19-10-8-16-11-19)13-4-1-3-12-5-7-17-14(12)13/h1,3-5,7-8,10-11,17H,2,6,9H2,(H,18,20)
InChIKeyCGISAFOTAWCOKK-UHFFFAOYSA-N
XLogP2.18
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
CID 110445327
N-(3-imidazol-1-ylpropyl)-1,3-benzodioxole-4-carboxamide
CID 22355406
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
CID 103706674
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide (CID 22139224) is N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide is O=C(NCCCn1ccnc1)c1cccc2cc[nH]c12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide?
The InChIKey is CGISAFOTAWCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15(18-6-2-9-19-10-8-16-11-19)13-4-1-3-12-5-7-17-14(12)13/h1,3-5,7-8,10-11,17H,2,6,9H2,(H,18,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide?
N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 22139224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).