N-methyl-4-oxo-4-pyridin-3-ylbutanamide

C10H12N2O2 — CID 436

IUPACN-methyl-4-oxo-4-pyridin-3-ylbutanamide
SMILESCNC(=O)CCC(=O)c1cccnc1
InChIInChI=1S/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)
InChIKeyWOOSCPWOYYLIHS-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.79
Rot. Bonds4

About N-methyl-4-oxo-4-pyridin-3-ylbutanamide

N-methyl-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 436) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-methyl-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID436
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-methyl-4-oxo-4-pyridin-3-ylbutanamide
SMILESCNC(=O)CCC(=O)c1cccnc1
InChIInChI=1S/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)
InChIKeyWOOSCPWOYYLIHS-UHFFFAOYSA-N
XLogP0.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-methyl-4-oxo-4-pyridin-3-ylbutanamide (CID 436) is N-methyl-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-methyl-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-methyl-4-oxo-4-pyridin-3-ylbutanamide is CNC(=O)CCC(=O)c1cccnc1.
What is the InChIKey of N-methyl-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is WOOSCPWOYYLIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14).
What are the key properties of N-methyl-4-oxo-4-pyridin-3-ylbutanamide?
N-methyl-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 192.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).