2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide

C13H12ClN3O4 — CID 103732716

IUPAC2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O4/c1-8(5-9-3-2-4-21-9)16-13(18)10-6-12(14)15-7-11(10)17(19)20/h2-4,6-8H,5H2,1H3,(H,16,18)
InChIKeyOVTLQRGAABWOLS-UHFFFAOYSA-N
MW309.71 g/mol
LogP2.60
Rot. Bonds5

About 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide

2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide (PubChem CID 103732716) has the molecular formula C13H12ClN3O4 and a molecular weight of 309.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide
PubChem CID103732716
Molecular FormulaC13H12ClN3O4
Molecular Weight309.71 g/mol
Exact Mass309.05
IUPAC Name2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O4/c1-8(5-9-3-2-4-21-9)16-13(18)10-6-12(14)15-7-11(10)17(19)20/h2-4,6-8H,5H2,1H3,(H,16,18)
InChIKeyOVTLQRGAABWOLS-UHFFFAOYSA-N
XLogP2.60
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 52.60
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'}

Analyze 2-chloro-N-[1-(furan-2-yl)propan-2-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

5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide
CID 103732129
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
2-chloro-N-(1-cyclobutylethyl)-5-nitropyridine-4-carboxamide
CID 113338565
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
CID 113378355
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
5-chloro-2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179264
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55738273
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinylpyridine-3-carboxamide
CID 81256734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide (CID 103732716) is 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide is CC(Cc1ccco1)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide?
The InChIKey is OVTLQRGAABWOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4/c1-8(5-9-3-2-4-21-9)16-13(18)10-6-12(14)15-7-11(10)17(19)20/h2-4,6-8H,5H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide?
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide has a molecular weight of 309.71 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103732716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).