2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid

C19H18ClN3O3 — CID 27331603

IUPAC2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc([C@H]2CCCC/C2=N/NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H18ClN3O3/c20-15-7-3-1-5-13(15)18(24)23-22-16-8-4-2-6-14(16)17-11-12(19(25)26)9-10-21-17/h1,3,5,7,9-11,14H,2,4,6,8H2,(H,23,24)(H,25,26)/b22-16-/t14-/m0/s1
InChIKeyODDQEWDZHIGXPT-DJFNHCPNSA-N
MW371.82 g/mol
LogP3.88
Rot. Bonds4

About 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid

2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid (PubChem CID 27331603) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid
PubChem CID27331603
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc([C@H]2CCCC/C2=N/NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H18ClN3O3/c20-15-7-3-1-5-13(15)18(24)23-22-16-8-4-2-6-14(16)17-11-12(19(25)26)9-10-21-17/h1,3,5,7,9-11,14H,2,4,6,8H2,(H,23,24)(H,25,26)/b22-16-/t14-/m0/s1
InChIKeyODDQEWDZHIGXPT-DJFNHCPNSA-N
XLogP3.88
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.88
H-Bond Donors ≤ 52
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'}

Analyze 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,2Z)-2-(phenylcarbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylic acid
CID 27331592
[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea
CID 98151079
[(2-pyridin-2-ylcyclohexylidene)amino]urea
CID 5146946
3,4,5-trimethoxy-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]benzamide
CID 8974483
(NE)-N-[(2S)-2-pyridin-2-ylcyclohexylidene]hydroxylamine
CID 7058762
2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid
CID 97033317
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016314
2-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016316
4-bromo-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]-1H-pyrrole-2-carboxamide
CID 8983404
2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
CID 97046760

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid (CID 27331603) is 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc([C@H]2CCCC/C2=N/NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid?
The InChIKey is ODDQEWDZHIGXPT-DJFNHCPNSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-7-3-1-5-13(15)18(24)23-22-16-8-4-2-6-14(16)17-11-12(19(25)26)9-10-21-17/h1,3,5,7,9-11,14H,2,4,6,8H2,(H,23,24)(H,25,26)/b22-16-/t14-/m0/s1.
What are the key properties of 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid?
2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid has a molecular weight of 371.82 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2Z)-2-[(2-chlorobenzoyl)hydrazinylidene]cyclohexyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 27331603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).