2-pyridin-4-ylbutanamide

C9H12N2O — CID 67405148

IUPAC2-pyridin-4-ylbutanamide
SMILESCCC(C(N)=O)c1ccncc1
InChIInChI=1S/C9H12N2O/c1-2-8(9(10)12)7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H2,10,12)
InChIKeyGHXROAQHBHYDJK-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.06
Rot. Bonds3

About 2-pyridin-4-ylbutanamide

2-pyridin-4-ylbutanamide (PubChem CID 67405148) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-pyridin-4-ylbutanamide
PubChem CID67405148
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-pyridin-4-ylbutanamide
SMILESCCC(C(N)=O)c1ccncc1
InChIInChI=1S/C9H12N2O/c1-2-8(9(10)12)7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H2,10,12)
InChIKeyGHXROAQHBHYDJK-UHFFFAOYSA-N
XLogP1.06
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenylbutanamide
CID 139147476
2-pyridin-4-yldocosa-4,7,10,13,16,19-hexaenamide
CID 140608204
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
2-(4-methyl-3-pyridinyl)butanamide
CID 67406036
2-[4-(methylamino)phenyl]butanamide
CID 175192673
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
CID 150059098
3-methylsulfanyl-2-pyridin-4-ylpropanoic acid
CID 117246613
5,5-dimethyl-3-pyridin-4-ylhexan-2-one
CID 102483354
2-quinolin-3-ylbutanamide
CID 154121490
ethyl 4-methyl-3-pyridin-4-ylhexanoate
CID 171748001

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylbutanamide?
The IUPAC name of 2-pyridin-4-ylbutanamide (CID 67405148) is 2-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-pyridin-4-ylbutanamide?
The canonical SMILES for 2-pyridin-4-ylbutanamide is CCC(C(N)=O)c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylbutanamide?
The InChIKey is GHXROAQHBHYDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-8(9(10)12)7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H2,10,12).
What are the key properties of 2-pyridin-4-ylbutanamide?
2-pyridin-4-ylbutanamide has a molecular weight of 164.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylbutanamide is sourced from PubChem (CID 67405148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).