N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide

C12H18N2O2 — CID 103763778

IUPACN-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide
SMILESCCC(CC)N(C)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H18N2O2/c1-4-10(5-2)14(3)12(16)9-6-7-13-11(15)8-9/h6-8,10H,4-5H2,1-3H3,(H,13,15)
InChIKeyORLKLKODLIXGKW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide

N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide (PubChem CID 103763778) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide
PubChem CID103763778
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide
SMILESCCC(CC)N(C)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H18N2O2/c1-4-10(5-2)14(3)12(16)9-6-7-13-11(15)8-9/h6-8,10H,4-5H2,1-3H3,(H,13,15)
InChIKeyORLKLKODLIXGKW-UHFFFAOYSA-N
XLogP1.64
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide
CID 103764335
N-(1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103762881
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 114039801
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
N-cyclopropyl-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763001
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
N-methyl-N-[2-(methylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103885153
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763054
4-(bromomethyl)-N-methyl-N-pentan-3-ylbenzamide
CID 102851011
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide (CID 103763778) is N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide is CCC(CC)N(C)C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide?
The InChIKey is ORLKLKODLIXGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-10(5-2)14(3)12(16)9-6-7-13-11(15)8-9/h6-8,10H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide?
N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103763778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).