N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide

C11H14ClN3O3 — CID 103803326

IUPACN-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-3-4-5-14(2)11(16)9-6-8(15(17)18)7-13-10(9)12/h6-7H,3-5H2,1-2H3
InChIKeyOHBSORIOBYWSHK-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.52
Rot. Bonds5

About N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide

N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide (PubChem CID 103803326) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
PubChem CID103803326
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-3-4-5-14(2)11(16)9-6-8(15(17)18)7-13-10(9)12/h6-7H,3-5H2,1-2H3
InChIKeyOHBSORIOBYWSHK-UHFFFAOYSA-N
XLogP2.52
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.52
H-Bond Donors ≤ 50
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'}

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Related Compounds

N-[2-(4-chloro-2-nitroanilino)ethyl]pyridine-3-carboxamide
CID 2886801
[4-(2-Chloro-6-nitrophenyl)piperazin-1-yl](pyridin-3-yl)methanone
CID 2952320
6-Chloro-N,N-dimethylnicotinamide
CID 12364231
2-Chloro-N,N-diethylnicotinamide
CID 4465944
6-Chloro-N-methoxy-N-methylnicotinamide
CID 11435597
(4-(2-Chloro-4-nitrophenyl)piperazin-1-yl)(pyridin-3-yl)methanone
CID 3850168
5-Nitropyridine-3-carboxamide
CID 13292025
N-butyl-2,4,6-trichloro-5-nitropyridine-3-carboxamide
CID 620133
3-Pyridinecarboxamide, 2-chloro-5-nitro-
CID 151622
2-chloro-N,N-dimethylpyridine-3-carboxamide
CID 10965214
5-Nitronicotinaldehyde
CID 13123498
1-(2-Chloro-5-nitropyridin-4-yl)ethan-1-one
CID 58387568

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide (CID 103803326) is N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide is CCCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is OHBSORIOBYWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-3-4-5-14(2)11(16)9-6-8(15(17)18)7-13-10(9)12/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide?
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 271.70 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 103803326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).