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

C10H11N3O — CID 82111754

IUPAC3-cyano-N-(pyridin-4-ylmethyl)propanamide
SMILESN#CCCC(=O)NCc1ccncc1
InChIInChI=1S/C10H11N3O/c11-5-1-2-10(14)13-8-9-3-6-12-7-4-9/h3-4,6-7H,1-2,8H2,(H,13,14)
InChIKeySBQSDEVVKQVPRS-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.00
Rot. Bonds4

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

3-cyano-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 82111754) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-cyano-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(pyridin-4-ylmethyl)propanamide
PubChem CID82111754
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-cyano-N-(pyridin-4-ylmethyl)propanamide
SMILESN#CCCC(=O)NCc1ccncc1
InChIInChI=1S/C10H11N3O/c11-5-1-2-10(14)13-8-9-3-6-12-7-4-9/h3-4,6-7H,1-2,8H2,(H,13,14)
InChIKeySBQSDEVVKQVPRS-UHFFFAOYSA-N
XLogP1.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
3-cyano-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 82112575
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-cyano-N-(pyridin-4-ylmethyl)propanamide (CID 82111754) is 3-cyano-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-cyano-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-cyano-N-(pyridin-4-ylmethyl)propanamide is N#CCCC(=O)NCc1ccncc1.
What is the InChIKey of 3-cyano-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is SBQSDEVVKQVPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-1-2-10(14)13-8-9-3-6-12-7-4-9/h3-4,6-7H,1-2,8H2,(H,13,14).
What are the key properties of 3-cyano-N-(pyridin-4-ylmethyl)propanamide?
3-cyano-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 189.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 82111754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).