N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide

C12H18N2O3 — CID 113224184

IUPACN-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O3/c1-9(8-17-4)14(3)12(16)10-5-6-13(2)11(15)7-10/h5-7,9H,8H2,1-4H3
InChIKeyJECZCKANPIFREC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.49
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide

N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide (PubChem CID 113224184) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
PubChem CID113224184
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O3/c1-9(8-17-4)14(3)12(16)10-5-6-13(2)11(15)7-10/h5-7,9H,8H2,1-4H3
InChIKeyJECZCKANPIFREC-UHFFFAOYSA-N
XLogP0.49
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291
N-ethyl-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612566
N,N,1-trimethyl-2-oxopyridine-4-carboxamide
CID 60735672
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate
CID 54941998
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
CID 55123665
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612228
4-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 54946736

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide (CID 113224184) is N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide is COCC(C)N(C)C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The InChIKey is JECZCKANPIFREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(8-17-4)14(3)12(16)10-5-6-13(2)11(15)7-10/h5-7,9H,8H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 113224184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).