2-cyano-N-(1-pyridin-3-ylethyl)acetamide

C10H11N3O — CID 43523765

IUPAC2-cyano-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)CC#N)c1cccnc1
InChIInChI=1S/C10H11N3O/c1-8(13-10(14)4-5-11)9-3-2-6-12-7-9/h2-3,6-8H,4H2,1H3,(H,13,14)
InChIKeyCNZQWBWAXBGMFS-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.17
Rot. Bonds3

About 2-cyano-N-(1-pyridin-3-ylethyl)acetamide

2-cyano-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 43523765) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-cyano-N-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID43523765
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-cyano-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)CC#N)c1cccnc1
InChIInChI=1S/C10H11N3O/c1-8(13-10(14)4-5-11)9-3-2-6-12-7-9/h2-3,6-8H,4H2,1H3,(H,13,14)
InChIKeyCNZQWBWAXBGMFS-UHFFFAOYSA-N
XLogP1.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-cyano-N-(1-pyridin-3-ylethyl)acetamide (CID 43523765) is 2-cyano-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-cyano-N-(1-pyridin-3-ylethyl)acetamide is CC(NC(=O)CC#N)c1cccnc1.
What is the InChIKey of 2-cyano-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is CNZQWBWAXBGMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8(13-10(14)4-5-11)9-3-2-6-12-7-9/h2-3,6-8H,4H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-(1-pyridin-3-ylethyl)acetamide?
2-cyano-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 189.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 43523765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).