1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide

C13H15N3O — CID 60717449

IUPAC1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
SMILESCc1cccnc1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H15N3O/c1-10-5-4-8-15-11(10)16-12(17)13(9-14)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,17)
InChIKeyGJFMVSNSRSDKBA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.41
Rot. Bonds2

About 1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide

1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 60717449) 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)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
PubChem CID60717449
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
SMILESCc1cccnc1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H15N3O/c1-10-5-4-8-15-11(10)16-12(17)13(9-14)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,17)
InChIKeyGJFMVSNSRSDKBA-UHFFFAOYSA-N
XLogP2.41
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide (CID 60717449) is 1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide is Cc1cccnc1NC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is GJFMVSNSRSDKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-5-4-8-15-11(10)16-12(17)13(9-14)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,17).
What are the key properties of 1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide?
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.41, 2 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)cyclopentane-1-carboxamide is sourced from PubChem (CID 60717449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).