N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

C17H17N3O — CID 110704012

IUPACN-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc2nccn2c1
InChIInChI=1S/C17H17N3O/c21-17(15-8-9-16-18-11-12-20(16)13-15)19-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,19,21)
InChIKeyCTWSASLKGFLKOM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.70
Rot. Bonds5

About N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 110704012) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID110704012
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc2nccn2c1
InChIInChI=1S/C17H17N3O/c21-17(15-8-9-16-18-11-12-20(16)13-15)19-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,19,21)
InChIKeyCTWSASLKGFLKOM-UHFFFAOYSA-N
XLogP2.70
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703993
N-[2-(3-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110704025
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70723086
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963
N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119619984
4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 72699526
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 110704012) is N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCCc1ccccc1)c1ccc2nccn2c1.
What is the InChIKey of N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CTWSASLKGFLKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(15-8-9-16-18-11-12-20(16)13-15)19-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,19,21).
What are the key properties of N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 110704012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).