3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide

C11H13N3O — CID 82112575

IUPAC3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(CC#N)C(=O)NCc1ccncc1
InChIInChI=1S/C11H13N3O/c1-9(2-5-12)11(15)14-8-10-3-6-13-7-4-10/h3-4,6-7,9H,2,8H2,1H3,(H,14,15)
InChIKeyIBVYZTFWTLGEPK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.25
Rot. Bonds4

About 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide

3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 82112575) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID82112575
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(CC#N)C(=O)NCc1ccncc1
InChIInChI=1S/C11H13N3O/c1-9(2-5-12)11(15)14-8-10-3-6-13-7-4-10/h3-4,6-7,9H,2,8H2,1H3,(H,14,15)
InChIKeyIBVYZTFWTLGEPK-UHFFFAOYSA-N
XLogP1.25
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide;ethane;molecular hydrogen
CID 143277001
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
3-cyano-N-(pyridin-4-ylmethyl)propanamide
CID 82111754
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 47408950
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
ethane;pyridin-4-ylmethylurea
CID 144877282
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide (CID 82112575) is 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide is CC(CC#N)C(=O)NCc1ccncc1.
What is the InChIKey of 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is IBVYZTFWTLGEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(2-5-12)11(15)14-8-10-3-6-13-7-4-10/h3-4,6-7,9H,2,8H2,1H3,(H,14,15).
What are the key properties of 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide?
3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 203.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 82112575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).