1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide

C13H15N3O — CID 78995295

IUPAC1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cccnc1CNC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H15N3O/c1-10-4-2-7-15-11(10)8-16-12(17)13(9-14)5-3-6-13/h2,4,7H,3,5-6,8H2,1H3,(H,16,17)
InChIKeyKNNPSQKDTHDXNM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.70
Rot. Bonds3

About 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide

1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide (PubChem CID 78995295) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
PubChem CID78995295
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cccnc1CNC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H15N3O/c1-10-4-2-7-15-11(10)8-16-12(17)13(9-14)5-3-6-13/h2,4,7H,3,5-6,8H2,1H3,(H,16,17)
InChIKeyKNNPSQKDTHDXNM-UHFFFAOYSA-N
XLogP1.70
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869384
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
N-[(5-bromo-2-methylphenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183329
1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
CID 47162656
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
1-cyano-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110948
1-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113241733

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide (CID 78995295) is 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide is Cc1cccnc1CNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is KNNPSQKDTHDXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-4-2-7-15-11(10)8-16-12(17)13(9-14)5-3-6-13/h2,4,7H,3,5-6,8H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide?
1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 78995295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).