N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C16H14N4O — CID 5341097

IUPACN-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C16H14N4O/c1-12-15(20-10-6-5-9-14(20)18-12)16(21)19-17-11-13-7-3-2-4-8-13/h2-11H,1H3,(H,19,21)/b17-11+
InChIKeyRANFSJFWLRPNDQ-GZTJUZNOSA-N
MW278.31 g/mol
LogP2.41
Rot. Bonds3

About N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 5341097) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID5341097
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1
InChIInChI=1S/C16H14N4O/c1-12-15(20-10-6-5-9-14(20)18-12)16(21)19-17-11-13-7-3-2-4-8-13/h2-11H,1H3,(H,19,21)/b17-11+
InChIKeyRANFSJFWLRPNDQ-GZTJUZNOSA-N
XLogP2.41
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 5341097) is N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RANFSJFWLRPNDQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-15(20-10-6-5-9-14(20)18-12)16(21)19-17-11-13-7-3-2-4-8-13/h2-11H,1H3,(H,19,21)/b17-11+.
What are the key properties of N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 5341097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).