N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide

C11H16N2O3 — CID 43417871

IUPACN-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(CO)NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H16N2O3/c1-3-9(7-14)12-11(16)8-4-5-13(2)10(15)6-8/h4-6,9,14H,3,7H2,1-2H3,(H,12,16)
InChIKeyVVCHVRFXPIRKQV-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.11
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide

N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 43417871) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID43417871
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(CO)NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H16N2O3/c1-3-9(7-14)12-11(16)8-4-5-13(2)10(15)6-8/h4-6,9,14H,3,7H2,1-2H3,(H,12,16)
InChIKeyVVCHVRFXPIRKQV-UHFFFAOYSA-N
XLogP-0.11
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide (CID 43417871) is N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide is CCC(CO)NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is VVCHVRFXPIRKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-9(7-14)12-11(16)8-4-5-13(2)10(15)6-8/h4-6,9,14H,3,7H2,1-2H3,(H,12,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 43417871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).