(E)-N-(pyridin-2-ylmethyl)but-2-enamide

C10H12N2O — CID 110459675

IUPAC(E)-N-(pyridin-2-ylmethyl)but-2-enamide
SMILESC/C=C/C(=O)NCc1ccccn1
InChIInChI=1S/C10H12N2O/c1-2-5-10(13)12-8-9-6-3-4-7-11-9/h2-7H,8H2,1H3,(H,12,13)/b5-2+
InChIKeyZZKKECUPGRYNPK-GORDUTHDSA-N
MW176.22 g/mol
LogP1.27
Rot. Bonds3

About (E)-N-(pyridin-2-ylmethyl)but-2-enamide

(E)-N-(pyridin-2-ylmethyl)but-2-enamide (PubChem CID 110459675) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (E)-N-(pyridin-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(pyridin-2-ylmethyl)but-2-enamide
PubChem CID110459675
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(E)-N-(pyridin-2-ylmethyl)but-2-enamide
SMILESC/C=C/C(=O)NCc1ccccn1
InChIInChI=1S/C10H12N2O/c1-2-5-10(13)12-8-9-6-3-4-7-11-9/h2-7H,8H2,1H3,(H,12,13)/b5-2+
InChIKeyZZKKECUPGRYNPK-GORDUTHDSA-N
XLogP1.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
4,4,4-trifluoro-3-methyl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 123609120
(E)-3-(3-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 39366180
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
(E)-3-(4-bromothiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 75407879
(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 36714034
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 30878649
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577

Frequently Asked Questions

What is the IUPAC name of (E)-N-(pyridin-2-ylmethyl)but-2-enamide?
The IUPAC name of (E)-N-(pyridin-2-ylmethyl)but-2-enamide (CID 110459675) is (E)-N-(pyridin-2-ylmethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(pyridin-2-ylmethyl)but-2-enamide?
The canonical SMILES for (E)-N-(pyridin-2-ylmethyl)but-2-enamide is C/C=C/C(=O)NCc1ccccn1.
What is the InChIKey of (E)-N-(pyridin-2-ylmethyl)but-2-enamide?
The InChIKey is ZZKKECUPGRYNPK-GORDUTHDSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-5-10(13)12-8-9-6-3-4-7-11-9/h2-7H,8H2,1H3,(H,12,13)/b5-2+.
What are the key properties of (E)-N-(pyridin-2-ylmethyl)but-2-enamide?
(E)-N-(pyridin-2-ylmethyl)but-2-enamide has a molecular weight of 176.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(pyridin-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 110459675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).