N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C16H15N3O2 — CID 63311234

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cn2ccccc2n1
InChIInChI=1S/C16H15N3O2/c20-11-13-5-3-4-12(8-13)9-17-16(21)14-10-19-7-2-1-6-15(19)18-14/h1-8,10,20H,9,11H2,(H,17,21)
InChIKeyMXGLEOCDFIXDLY-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.76
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 63311234) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID63311234
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cn2ccccc2n1
InChIInChI=1S/C16H15N3O2/c20-11-13-5-3-4-12(8-13)9-17-16(21)14-10-19-7-2-1-6-15(19)18-14/h1-8,10,20H,9,11H2,(H,17,21)
InChIKeyMXGLEOCDFIXDLY-UHFFFAOYSA-N
XLogP1.76
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53167047
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-[(2,4,6-trimethylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051271
N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051276
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
N-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 53014545
ethane;N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 153344844
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
N-(4-hydroxy-2,2-dimethylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 103824953
N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51328953
N-[(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051264

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 63311234) is N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1cccc(CO)c1)c1cn2ccccc2n1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MXGLEOCDFIXDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-11-13-5-3-4-12(8-13)9-17-16(21)14-10-19-7-2-1-6-15(19)18-14/h1-8,10,20H,9,11H2,(H,17,21).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 63311234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).