2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide

C11H12ClN3O3 — CID 103730768

IUPAC2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O3/c12-10-5-8(9(6-13-10)15(17)18)11(16)14-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,16)
InChIKeyBXSOMWPUJKXSSK-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.32
Rot. Bonds3

About 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide

2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide (PubChem CID 103730768) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
PubChem CID103730768
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O3/c12-10-5-8(9(6-13-10)15(17)18)11(16)14-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,16)
InChIKeyBXSOMWPUJKXSSK-UHFFFAOYSA-N
XLogP2.32
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitropyridine-4-carboxamide
CID 104957413
2-chloro-N-cyclohex-3-en-1-yl-5-nitropyridine-4-carboxamide
CID 113251107
2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide
CID 103733257
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-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 113254749
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733781
4-chloro-2-(cyclohexylcarbamoyl)-6-nitrophenolate
CID 7038580
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
(2-chloro-5-nitro-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 103730785
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103732194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide (CID 103730768) is 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide is O=C(NC1CCCC1)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide?
The InChIKey is BXSOMWPUJKXSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-10-5-8(9(6-13-10)15(17)18)11(16)14-7-3-1-2-4-7/h5-7H,1-4H2,(H,14,16).
What are the key properties of 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide?
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide has a molecular weight of 269.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103730768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).