2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide

C12H12ClN3O3 — CID 113251107

IUPAC2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide
SMILESO=C(NC1CC=CCC1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H12ClN3O3/c13-11-6-9(10(7-14-11)16(18)19)12(17)15-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,15,17)
InChIKeyCIOXHCPIPBZEOX-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide

2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide (PubChem CID 113251107) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide
PubChem CID113251107
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide
SMILESO=C(NC1CC=CCC1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H12ClN3O3/c13-11-6-9(10(7-14-11)16(18)19)12(17)15-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,15,17)
InChIKeyCIOXHCPIPBZEOX-UHFFFAOYSA-N
XLogP2.48
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide 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-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
2-chloro-N-cyclohex-3-en-1-yl-3-nitrobenzamide
CID 112576423
2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide
CID 103733257
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitropyridine-4-carboxamide
CID 104957413
2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)-5-nitropyridine-4-carboxamide
CID 103733913
2-chloro-N-(1-cyclobutylethyl)-5-nitropyridine-4-carboxamide
CID 113338565
(2-chloro-5-nitro-4-pyridinyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 113356775
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide
CID 103881089
2-chloro-5-nitro-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 113254749
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733781
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide (CID 113251107) is 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide is O=C(NC1CC=CCC1)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide?
The InChIKey is CIOXHCPIPBZEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c13-11-6-9(10(7-14-11)16(18)19)12(17)15-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,15,17).
What are the key properties of 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide?
2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide has a molecular weight of 281.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 113251107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).