2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide

C11H12ClN3O3 — CID 113248375

IUPAC2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
SMILESCC1(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H12ClN3O3/c1-11(3-4-11)6-14-10(16)7-2-5-13-9(12)8(7)15(17)18/h2,5H,3-4,6H2,1H3,(H,14,16)
InChIKeyUKUUZXRQFOQHQK-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.17
Rot. Bonds4

About 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide

2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide (PubChem CID 113248375) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
PubChem CID113248375
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
SMILESCC1(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H12ClN3O3/c1-11(3-4-11)6-14-10(16)7-2-5-13-9(12)8(7)15(17)18/h2,5H,3-4,6H2,1H3,(H,14,16)
InChIKeyUKUUZXRQFOQHQK-UHFFFAOYSA-N
XLogP2.17
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.17
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-[(1-methylcyclopropyl)methyl]-3-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

2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
CID 107299490
2-chloro-N-[(1-hydroxycyclobutyl)methyl]-3-nitropyridine-4-carboxamide
CID 113247244
2-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 113429004
2-chloro-N-[(4-hydroxyphenyl)methyl]-3-nitropyridine-4-carboxamide
CID 115735377
2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
CID 83014753
2-chloro-N-(5-methylhexyl)-3-nitropyridine-4-carboxamide
CID 79209646
2-chloro-N-(2-methylsulfinylpropyl)-3-nitropyridine-4-carboxamide
CID 113336666
2-chloro-N-(4-methylsulfanylbutyl)-3-nitropyridine-4-carboxamide
CID 113247231
2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 103528773
2-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridine-4-carboxamide
CID 115700391
2-chloro-3-nitro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 64868063
2-chloro-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
CID 103753304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide (CID 113248375) is 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide is CC1(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])CC1.
What is the InChIKey of 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide?
The InChIKey is UKUUZXRQFOQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-11(3-4-11)6-14-10(16)7-2-5-13-9(12)8(7)15(17)18/h2,5H,3-4,6H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide?
2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide has a molecular weight of 269.69 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide is sourced from PubChem (CID 113248375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).