3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide

C11H13ClN4O3 — CID 79401201

IUPAC3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide
SMILESO=C(CCNc1nc(Cl)ccc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C11H13ClN4O3/c12-9-4-3-8(16(18)19)11(15-9)13-6-5-10(17)14-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,17)
InChIKeyXWZPKQGEIIZVQB-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.72
Rot. Bonds6

About 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide

3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide (PubChem CID 79401201) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide
PubChem CID79401201
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide
SMILESO=C(CCNc1nc(Cl)ccc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C11H13ClN4O3/c12-9-4-3-8(16(18)19)11(15-9)13-6-5-10(17)14-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,17)
InChIKeyXWZPKQGEIIZVQB-UHFFFAOYSA-N
XLogP1.72
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.72
H-Bond Donors ≤ 52
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 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide 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

N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580
3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 79401733
6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 63833190
6-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-nitropyridine-3-carboxylic acid
CID 81447399
N-cyclopropyl-3-[(4-nitro-1,3-benzoxazol-2-yl)amino]propanamide
CID 79883996
3-(5-chloro-2-methyl-4-nitroanilino)-N-cyclopropylpropanamide
CID 115555993
N-but-3-enyl-6-chloro-3-nitropyridin-2-amine
CID 106196186
6-chloro-3-nitro-N-[[(2S)-oxetan-2-yl]methyl]pyridin-2-amine
CID 166095090
6-chloro-3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 63705752
3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide
CID 104836022
6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
CID 63549781
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide (CID 79401201) is 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide is O=C(CCNc1nc(Cl)ccc1[N+](=O)[O-])NC1CC1.
What is the InChIKey of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide?
The InChIKey is XWZPKQGEIIZVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c12-9-4-3-8(16(18)19)11(15-9)13-6-5-10(17)14-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,17).
What are the key properties of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide?
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide has a molecular weight of 284.70 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79401201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).