2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide

C10H12N2O — CID 142012577

IUPAC2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCc1ccccn1
InChIInChI=1S/C10H12N2O/c1-8(2)10(13)12-7-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H,12,13)
InChIKeyVKQNCJYMANYSCO-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.27
Rot. Bonds3

About 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide

2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 142012577) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID142012577
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCc1ccccn1
InChIInChI=1S/C10H12N2O/c1-8(2)10(13)12-7-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H,12,13)
InChIKeyVKQNCJYMANYSCO-UHFFFAOYSA-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

2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344
N-(pyridin-2-ylmethyl)but-1-en-2-amine
CID 129060114
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
4,4,4-trifluoro-3-methyl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 123609120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 142012577) is 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide is C=C(C)C(=O)NCc1ccccn1.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is VKQNCJYMANYSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(2)10(13)12-7-9-5-3-4-6-11-9/h3-6H,1,7H2,2H3,(H,12,13).
What are the key properties of 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
2-methyl-N-(pyridin-2-ylmethyl)prop-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 2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 142012577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).