1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide

C13H15N3O — CID 115181752

IUPAC1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1cccnc1)C(=O)C1(C#N)CC1
InChIInChI=1S/C13H15N3O/c1-16(12(17)13(10-14)5-6-13)8-4-11-3-2-7-15-9-11/h2-3,7,9H,4-6,8H2,1H3
InChIKeyFDCNWTYHCHREFL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.39
Rot. Bonds4

About 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide

1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide (PubChem CID 115181752) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
PubChem CID115181752
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1cccnc1)C(=O)C1(C#N)CC1
InChIInChI=1S/C13H15N3O/c1-16(12(17)13(10-14)5-6-13)8-4-11-3-2-7-15-9-11/h2-3,7,9H,4-6,8H2,1H3
InChIKeyFDCNWTYHCHREFL-UHFFFAOYSA-N
XLogP1.39
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181731
1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115183394
1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 47413974
1-cyano-N-methyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 78994564
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
methyl(2-pyridin-3-ylethyl)cyanamide
CID 117043571
2-(ethylamino)-N-methyl-N-(2-pyridin-3-ylethyl)acetamide
CID 115158126
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide (CID 115181752) is 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide is CN(CCc1cccnc1)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is FDCNWTYHCHREFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(12(17)13(10-14)5-6-13)8-4-11-3-2-7-15-9-11/h2-3,7,9H,4-6,8H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide?
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115181752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).