6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide

C45H36N10O5 — CID 158982043

IUPAC6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccccc3)cn2c1.N#Cc1ccc2nc(C(=O)Nc3ccccc3)cn2c1.O=C(Nc1ccccc1)c1cn2cc(CO)ccc2n1
InChIInChI=1S/C15H10N4O.2C15H13N3O2/c16-8-11-6-7-14-18-13(10-19(14)9-11)15(20)17-12-4-2-1-3-5-12;1-20-12-7-8-14-17-13(10-18(14)9-12)15(19)16-11-5-3-2-4-6-11;19-10-11-6-7-14-17-13(9-18(14)8-11)15(20)16-12-4-2-1-3-5-12/h1-7,9-10H,(H,17,20);2-10H,1H3,(H,16,19);1-9,19H,10H2,(H,16,20)
InChIKeyJPCVNWUZORYLLK-UHFFFAOYSA-N
MW796.85 g/mol
LogP7.13
Rot. Bonds8

About 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide

6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 158982043) has the molecular formula C45H36N10O5 and a molecular weight of 796.85 g/mol. Its IUPAC name is 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID158982043
Molecular FormulaC45H36N10O5
Molecular Weight796.85 g/mol
Exact Mass796.29
IUPAC Name6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccccc3)cn2c1.N#Cc1ccc2nc(C(=O)Nc3ccccc3)cn2c1.O=C(Nc1ccccc1)c1cn2cc(CO)ccc2n1
InChIInChI=1S/C15H10N4O.2C15H13N3O2/c16-8-11-6-7-14-18-13(10-19(14)9-11)15(20)17-12-4-2-1-3-5-12;1-20-12-7-8-14-17-13(10-18(14)9-12)15(19)16-11-5-3-2-4-6-11;19-10-11-6-7-14-17-13(9-18(14)8-11)15(20)16-12-4-2-1-3-5-12/h1-7,9-10H,(H,17,20);2-10H,1H3,(H,16,19);1-9,19H,10H2,(H,16,20)
InChIKeyJPCVNWUZORYLLK-UHFFFAOYSA-N
XLogP7.13
TPSA192.45 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.85
LogP ≤ 57.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
6-acetyl-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 24771670
N-phenyl-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68614845
6-benzoyl-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 68615384
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
6-(1-hydroxyethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;N-phenyl-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 158129245
5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 154693152
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-phenyl-6-(6-phenylmethoxy-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68780062
6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42536764
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060343

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide (CID 158982043) is 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide is COc1ccc2nc(C(=O)Nc3ccccc3)cn2c1.N#Cc1ccc2nc(C(=O)Nc3ccccc3)cn2c1.O=C(Nc1ccccc1)c1cn2cc(CO)ccc2n1.
What is the InChIKey of 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JPCVNWUZORYLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O.2C15H13N3O2/c16-8-11-6-7-14-18-13(10-19(14)9-11)15(20)17-12-4-2-1-3-5-12;1-20-12-7-8-14-17-13(10-18(14)9-12)15(19)16-11-5-3-2-4-6-11;19-10-11-6-7-14-17-13(9-18(14)8-11)15(20)16-12-4-2-1-3-5-12/h1-7,9-10H,(H,17,20);2-10H,1H3,(H,16,19);1-9,19H,10H2,(H,16,20).
What are the key properties of 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide?
6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 796.85 g/mol, XLogP of 7.13, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-(hydroxymethyl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;6-methoxy-N-phenylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 158982043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).