N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

C14H12ClN3O2 — CID 6871826

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H12ClN3O2/c1-18-9-11(4-7-13(18)19)14(20)17-16-8-10-2-5-12(15)6-3-10/h2-9H,1H3,(H,17,20)/b16-8+
InChIKeyGBKGVIHUURVNKW-LZYBPNLTSA-N
MW289.72 g/mol
LogP1.80
Rot. Bonds3

About N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 6871826) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID6871826
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H12ClN3O2/c1-18-9-11(4-7-13(18)19)14(20)17-16-8-10-2-5-12(15)6-3-10/h2-9H,1H3,(H,17,20)/b16-8+
InChIKeyGBKGVIHUURVNKW-LZYBPNLTSA-N
XLogP1.80
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.80
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)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (CID 6871826) is N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)N/N=C/c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is GBKGVIHUURVNKW-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-18-9-11(4-7-13(18)19)14(20)17-16-8-10-2-5-12(15)6-3-10/h2-9H,1H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 6871826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).