2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide

C12H11ClN4O3 — CID 103733579

IUPAC2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide
SMILESN#CC1(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H11ClN4O3/c13-10-5-8(9(6-15-10)17(19)20)11(18)16-12(7-14)3-1-2-4-12/h5-6H,1-4H2,(H,16,18)
InChIKeySPSSKUDUSDAIQP-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.21
Rot. Bonds3

About 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide

2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide (PubChem CID 103733579) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide
PubChem CID103733579
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide
SMILESN#CC1(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H11ClN4O3/c13-10-5-8(9(6-15-10)17(19)20)11(18)16-12(7-14)3-1-2-4-12/h5-6H,1-4H2,(H,16,18)
InChIKeySPSSKUDUSDAIQP-UHFFFAOYSA-N
XLogP2.21
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide
CID 103881089
4-chloro-N-(1-cyanocyclohexyl)-3-nitrobenzamide
CID 78805852
3-chloro-N-(1-cyanocyclopentyl)-4-fluoro-5-nitrobenzamide
CID 126840499
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
4-chloro-N-(1-cyanocyclobutyl)-3-nitrobenzamide
CID 61217403
4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide
CID 103893850
5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
CID 103732229
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitropyridine-4-carboxamide
CID 104957413
2-chloro-N-(1-cyclobutylethyl)-5-nitropyridine-4-carboxamide
CID 113338565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide (CID 103733579) is 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide is N#CC1(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide?
The InChIKey is SPSSKUDUSDAIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c13-10-5-8(9(6-15-10)17(19)20)11(18)16-12(7-14)3-1-2-4-12/h5-6H,1-4H2,(H,16,18).
What are the key properties of 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide?
2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide has a molecular weight of 294.70 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103733579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).