N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide

C14H12ClN3O3 — CID 27007451

IUPACN'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H12ClN3O3/c1-21-12-7-4-10(8-16-12)14(20)18-17-13(19)9-2-5-11(15)6-3-9/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyFUCRORXRMZJCMO-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.82
Rot. Bonds3

About N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide

N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide (PubChem CID 27007451) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
PubChem CID27007451
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC NameN'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H12ClN3O3/c1-21-12-7-4-10(8-16-12)14(20)18-17-13(19)9-2-5-11(15)6-3-9/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyFUCRORXRMZJCMO-UHFFFAOYSA-N
XLogP1.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 27018409
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 31729518
6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 84581357
N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
CID 26121927
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 134003966
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-6-methoxypyridine-3-carboxamide
CID 134056596
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
6-methoxypyridine-3-carboxylate
CID 7060527
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide (CID 27007451) is N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide?
The InChIKey is FUCRORXRMZJCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-21-12-7-4-10(8-16-12)14(20)18-17-13(19)9-2-5-11(15)6-3-9/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide?
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide has a molecular weight of 305.72 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide is sourced from PubChem (CID 27007451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).