N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

C20H22N4O — CID 87051276

IUPACN-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2)cc1)c1cn2ccccc2n1
InChIInChI=1S/C20H22N4O/c25-20(18-15-24-13-5-2-6-19(24)22-18)21-14-16-7-9-17(10-8-16)23-11-3-1-4-12-23/h2,5-10,13,15H,1,3-4,11-12,14H2,(H,21,25)
InChIKeyQAWLFUKLOWBJBK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 87051276) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID87051276
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2)cc1)c1cn2ccccc2n1
InChIInChI=1S/C20H22N4O/c25-20(18-15-24-13-5-2-6-19(24)22-18)21-14-16-7-9-17(10-8-16)23-11-3-1-4-12-23/h2,5-10,13,15H,1,3-4,11-12,14H2,(H,21,25)
InChIKeyQAWLFUKLOWBJBK-UHFFFAOYSA-N
XLogP3.25
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 153344844
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 63311234
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 66005188
N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 4080489
N-[(2,4,6-trimethylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051271
N-[2-[(1R,2R)-2-hydroxycyclohexyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 136587148
N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 35619356
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 100689823
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120946954
1-[(imidazo[1,2-a]pyridine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362941

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 87051276) is N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1ccc(N2CCCCC2)cc1)c1cn2ccccc2n1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QAWLFUKLOWBJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(18-15-24-13-5-2-6-19(24)22-18)21-14-16-7-9-17(10-8-16)23-11-3-1-4-12-23/h2,5-10,13,15H,1,3-4,11-12,14H2,(H,21,25).
What are the key properties of N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 87051276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).