N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide

C10H14N2O4 — CID 65314932

IUPACN-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC(CO)CO)cc1=O
InChIInChI=1S/C10H14N2O4/c1-12-3-2-7(4-9(12)15)10(16)11-8(5-13)6-14/h2-4,8,13-14H,5-6H2,1H3,(H,11,16)
InChIKeyRXDIALDKVHRQAW-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.53
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide

N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 65314932) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID65314932
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC(CO)CO)cc1=O
InChIInChI=1S/C10H14N2O4/c1-12-3-2-7(4-9(12)15)10(16)11-8(5-13)6-14/h2-4,8,13-14H,5-6H2,1H3,(H,11,16)
InChIKeyRXDIALDKVHRQAW-UHFFFAOYSA-N
XLogP-1.53
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 43357855
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-but-3-yn-2-yl-1-methyl-2-oxopyridine-4-carboxamide
CID 104919690
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 97313597
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 62517382
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide (CID 65314932) is N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC(CO)CO)cc1=O.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is RXDIALDKVHRQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-12-3-2-7(4-9(12)15)10(16)11-8(5-13)6-14/h2-4,8,13-14H,5-6H2,1H3,(H,11,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 65314932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).