N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide

C14H12ClN3O — CID 5480352

IUPACN-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O/c1-10(12-3-2-4-13(15)9-12)17-18-14(19)11-5-7-16-8-6-11/h2-9H,1H3,(H,18,19)/b17-10-
InChIKeyKQQSBVWBUPQJNF-YVLHZVERSA-N
MW273.72 g/mol
LogP2.89
Rot. Bonds3

About N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 5480352) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
PubChem CID5480352
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O/c1-10(12-3-2-4-13(15)9-12)17-18-14(19)11-5-7-16-8-6-11/h2-9H,1H3,(H,18,19)/b17-10-
InChIKeyKQQSBVWBUPQJNF-YVLHZVERSA-N
XLogP2.89
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.89
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)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
chloronickel;N-[1-[6-[C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridine-4-carboxamide
CID 50912725
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide
CID 154807613
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
N-[(E)-1-(3-chlorophenyl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 22830939
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide (CID 5480352) is N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccncc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is KQQSBVWBUPQJNF-YVLHZVERSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-10(12-3-2-4-13(15)9-12)17-18-14(19)11-5-7-16-8-6-11/h2-9H,1H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5480352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).