N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

C14H12ClN3O2 — CID 870831

IUPACN-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccncc2)cc1Cl
InChIInChI=1S/C14H12ClN3O2/c1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11/h2-9H,1H3,(H,18,19)
InChIKeyCPORAPFBLFDNLY-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.51
Rot. Bonds4

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

N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 870831) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID870831
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccncc2)cc1Cl
InChIInChI=1S/C14H12ClN3O2/c1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11/h2-9H,1H3,(H,18,19)
InChIKeyCPORAPFBLFDNLY-UHFFFAOYSA-N
XLogP2.51
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.51
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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Related Compounds

N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
CID 6106614
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 871932
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 758167
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 2690726
tert-butyl [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] carbonate
CID 45109190

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 870831) is N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1ccc(C=NNC(=O)c2ccncc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is CPORAPFBLFDNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 870831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).