N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide

C13H19ClN2O2 — CID 106168152

IUPACN-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-13(2,6-7-14)15-12(18)10-5-8-16(3)11(17)9-10/h5,8-9H,4,6-7H2,1-3H3,(H,15,18)
InChIKeyKMOMYSBXTCDSOF-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.91
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide

N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 106168152) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID106168152
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H19ClN2O2/c1-4-13(2,6-7-14)15-12(18)10-5-8-16(3)11(17)9-10/h5,8-9H,4,6-7H2,1-3H3,(H,15,18)
InChIKeyKMOMYSBXTCDSOF-UHFFFAOYSA-N
XLogP1.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
CID 106168112
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119260997
N-(1-chloro-3-methylpentan-3-yl)-1-methylpyrazole-3-carboxamide
CID 106168564
N-(1-chloro-3-methylpentan-3-yl)-3-methyl-4-nitrobenzamide
CID 106168375
N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
CID 106168756
N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 111444713
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
CID 103713487

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide (CID 106168152) is N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide is CCC(C)(CCCl)NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is KMOMYSBXTCDSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-13(2,6-7-14)15-12(18)10-5-8-16(3)11(17)9-10/h5,8-9H,4,6-7H2,1-3H3,(H,15,18).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 106168152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).