4-pyridin-2-ylbut-3-enamide

C9H10N2O — CID 170797301

IUPAC4-pyridin-2-ylbut-3-enamide
SMILESNC(=O)CC=Cc1ccccn1
InChIInChI=1S/C9H10N2O/c10-9(12)6-3-5-8-4-1-2-7-11-8/h1-5,7H,6H2,(H2,10,12)
InChIKeyQLDOCZMNDWTRCF-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.97
Rot. Bonds3

About 4-pyridin-2-ylbut-3-enamide

4-pyridin-2-ylbut-3-enamide (PubChem CID 170797301) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-pyridin-2-ylbut-3-enamide.

Molecular Properties

Compound Name4-pyridin-2-ylbut-3-enamide
PubChem CID170797301
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-pyridin-2-ylbut-3-enamide
SMILESNC(=O)CC=Cc1ccccn1
InChIInChI=1S/C9H10N2O/c10-9(12)6-3-5-8-4-1-2-7-11-8/h1-5,7H,6H2,(H2,10,12)
InChIKeyQLDOCZMNDWTRCF-UHFFFAOYSA-N
XLogP0.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-acetyl-2-pyridinyl)but-3-enamide
CID 170798002
4-(4-nitro-2-pyridinyl)but-3-enamide
CID 170797871
(E)-6-pyridin-2-ylhex-5-enal
CID 10464818
4-quinolin-4-ylbut-3-enamide
CID 170798108
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
2-penta-1,4-dienylpyridine
CID 66927735
4-(5-bromopyrazin-2-yl)but-3-enamide
CID 170798931
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
2-[(Z)-pent-1-enyl]pyridine
CID 45079869
4-[2-(2-oxopropyl)phenyl]but-3-enamide
CID 170798223
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
4-[4-(2-amino-4-fluorophenyl)-2-pyridinyl]but-3-enamide
CID 89284217

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylbut-3-enamide?
The IUPAC name of 4-pyridin-2-ylbut-3-enamide (CID 170797301) is 4-pyridin-2-ylbut-3-enamide.
What is the SMILES notation for 4-pyridin-2-ylbut-3-enamide?
The canonical SMILES for 4-pyridin-2-ylbut-3-enamide is NC(=O)CC=Cc1ccccn1.
What is the InChIKey of 4-pyridin-2-ylbut-3-enamide?
The InChIKey is QLDOCZMNDWTRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9(12)6-3-5-8-4-1-2-7-11-8/h1-5,7H,6H2,(H2,10,12).
What are the key properties of 4-pyridin-2-ylbut-3-enamide?
4-pyridin-2-ylbut-3-enamide has a molecular weight of 162.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylbut-3-enamide is sourced from PubChem (CID 170797301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).