N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C18H15N5O — CID 3663638

IUPACN-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(C#N)cc1
InChIInChI=1S/C18H15N5O/c1-12(15-8-6-14(11-19)7-9-15)21-22-18(24)17-13(2)20-16-5-3-4-10-23(16)17/h3-10H,1-2H3,(H,22,24)
InChIKeyHPRRRTWAAGBYNH-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.67
Rot. Bonds3

About N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 3663638) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID3663638
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(C#N)cc1
InChIInChI=1S/C18H15N5O/c1-12(15-8-6-14(11-19)7-9-15)21-22-18(24)17-13(2)20-16-5-3-4-10-23(16)17/h3-10H,1-2H3,(H,22,24)
InChIKeyHPRRRTWAAGBYNH-UHFFFAOYSA-N
XLogP2.67
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6253210
N-[1-(3-acetamidophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 3485132
N-[1-(furan-2-yl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 4106490
N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 4294253
N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 135734608
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16553524
2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 5254182
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90550161
methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzonitrile;hydrochloride
CID 19032464

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 3663638) is N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HPRRRTWAAGBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12(15-8-6-14(11-19)7-9-15)21-22-18(24)17-13(2)20-16-5-3-4-10-23(16)17/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 3663638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).