N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide

C14H13N3O — CID 690990

IUPACN-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCc1cccc(C=NNC(=O)c2ccncc2)c1
InChIInChI=1S/C14H13N3O/c1-11-3-2-4-12(9-11)10-16-17-14(18)13-5-7-15-8-6-13/h2-10H,1H3,(H,17,18)
InChIKeyBXFSDMGIAJXUDF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.15
Rot. Bonds3

About N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide

N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 690990) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID690990
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCc1cccc(C=NNC(=O)c2ccncc2)c1
InChIInChI=1S/C14H13N3O/c1-11-3-2-4-12(9-11)10-16-17-14(18)13-5-7-15-8-6-13/h2-10H,1H3,(H,17,18)
InChIKeyBXFSDMGIAJXUDF-UHFFFAOYSA-N
XLogP2.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
CID 1379950
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
N-[4-bromo-2-[[(3-methylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66638175
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide (CID 690990) is N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide is Cc1cccc(C=NNC(=O)c2ccncc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is BXFSDMGIAJXUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-11-3-2-4-12(9-11)10-16-17-14(18)13-5-7-15-8-6-13/h2-10H,1H3,(H,17,18).
What are the key properties of N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 690990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).