N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide

C12H16N2O — CID 177435209

IUPACN-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
SMILESCC(C)=CNC(=O)CCc1cccnc1
InChIInChI=1S/C12H16N2O/c1-10(2)8-14-12(15)6-5-11-4-3-7-13-9-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,15)
InChIKeyHQYPTIDLOVFSOC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.05
Rot. Bonds4

About N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide

N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide (PubChem CID 177435209) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
PubChem CID177435209
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
SMILESCC(C)=CNC(=O)CCc1cccnc1
InChIInChI=1S/C12H16N2O/c1-10(2)8-14-12(15)6-5-11-4-3-7-13-9-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,15)
InChIKeyHQYPTIDLOVFSOC-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 18396525
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide (CID 177435209) is N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide is CC(C)=CNC(=O)CCc1cccnc1.
What is the InChIKey of N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide?
The InChIKey is HQYPTIDLOVFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(2)8-14-12(15)6-5-11-4-3-7-13-9-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide?
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide has a molecular weight of 204.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 177435209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).