N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide

C15H12ClN3O — CID 7346885

IUPACN-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C\C=C/c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C15H12ClN3O/c16-13-8-2-1-6-12(13)7-5-11-18-19-15(20)14-9-3-4-10-17-14/h1-11H,(H,19,20)/b7-5-,18-11-
InChIKeyPVSJCLRSSHQYBE-WTVWNBRZSA-N
MW285.73 g/mol
LogP3.16
Rot. Bonds4

About N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide

N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide (PubChem CID 7346885) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
PubChem CID7346885
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C\C=C/c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C15H12ClN3O/c16-13-8-2-1-6-12(13)7-5-11-18-19-15(20)14-9-3-4-10-17-14/h1-11H,(H,19,20)/b7-5-,18-11-
InChIKeyPVSJCLRSSHQYBE-WTVWNBRZSA-N
XLogP3.16
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.16
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)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
CID 139165605
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6506022
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 129437635
N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane
CID 142936010
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide
CID 177413509
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 871932

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide (CID 7346885) is N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide is O=C(N/N=C\C=C/c1ccccc1Cl)c1ccccn1.
What is the InChIKey of N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide?
The InChIKey is PVSJCLRSSHQYBE-WTVWNBRZSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-8-2-1-6-12(13)7-5-11-18-19-15(20)14-9-3-4-10-17-14/h1-11H,(H,19,20)/b7-5-,18-11-.
What are the key properties of N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide?
N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 7346885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).