N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

C14H12ClN3O3 — CID 136661357

IUPACN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(Cl)cc(/C=N\NC(=O)c2ccncc2)c1O
InChIInChI=1S/C14H12ClN3O3/c1-21-12-7-11(15)6-10(13(12)19)8-17-18-14(20)9-2-4-16-5-3-9/h2-8,19H,1H3,(H,18,20)/b17-8-
InChIKeyNFHHKUKLEGZQMO-IUXPMGMMSA-N
MW305.72 g/mol
LogP2.21
Rot. Bonds4

About N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 136661357) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID136661357
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC NameN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(Cl)cc(/C=N\NC(=O)c2ccncc2)c1O
InChIInChI=1S/C14H12ClN3O3/c1-21-12-7-11(15)6-10(13(12)19)8-17-18-14(20)9-2-4-16-5-3-9/h2-8,19H,1H3,(H,18,20)/b17-8-
InChIKeyNFHHKUKLEGZQMO-IUXPMGMMSA-N
XLogP2.21
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643439
5-bromo-N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136792612
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 758167
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 135533719
copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate
CID 135510087
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
N-[(E)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135446787
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135604377
N-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 876788
4-chloro-N-[1-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3381035

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 136661357) is N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1cc(Cl)cc(/C=N\NC(=O)c2ccncc2)c1O.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is NFHHKUKLEGZQMO-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-21-12-7-11(15)6-10(13(12)19)8-17-18-14(20)9-2-4-16-5-3-9/h2-8,19H,1H3,(H,18,20)/b17-8-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 136661357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).