2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide

C13H14ClN3O3 — CID 103803498

IUPAC2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C13H14ClN3O3/c14-12-10(5-9(6-15-12)17(19)20)13(18)16-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,16,18)
InChIKeyMUTBXSJYZQUULT-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.56
Rot. Bonds5

About 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide

2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide (PubChem CID 103803498) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide
PubChem CID103803498
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C13H14ClN3O3/c14-12-10(5-9(6-15-12)17(19)20)13(18)16-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,16,18)
InChIKeyMUTBXSJYZQUULT-UHFFFAOYSA-N
XLogP2.56
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.56
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'}

Analyze 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-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

methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633
2-chloro-5-nitro-N-pent-1-yn-3-ylpyridine-3-carboxamide
CID 106228673
2-chloro-N-(1,1-dioxothiolan-3-yl)-5-nitropyridine-3-carboxamide
CID 103803501
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide
CID 106388118
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
CID 106164488
2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 103803837
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521
2-chloro-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-carboxamide
CID 106291227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide (CID 103803498) is 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide is O=C(NC(C1CC1)C1CC1)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide?
The InChIKey is MUTBXSJYZQUULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-12-10(5-9(6-15-12)17(19)20)13(18)16-11(7-1-2-7)8-3-4-8/h5-8,11H,1-4H2,(H,16,18).
What are the key properties of 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide?
2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 103803498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).