1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide

C15H19N3O — CID 61461590

IUPAC1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(C#N)CCCCC2)cn1
InChIInChI=1S/C15H19N3O/c1-12-5-6-13(9-17-12)10-18-14(19)15(11-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyHEKCKYNDVSKYAW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.48
Rot. Bonds3

About 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide

1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide (PubChem CID 61461590) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
PubChem CID61461590
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(C#N)CCCCC2)cn1
InChIInChI=1S/C15H19N3O/c1-12-5-6-13(9-17-12)10-18-14(19)15(11-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyHEKCKYNDVSKYAW-UHFFFAOYSA-N
XLogP2.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
1-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62996002
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
1-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113241733
1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 76980113
1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 78995295
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
N-[(3-chlorophenyl)methyl]-1-cyanocyclohexane-1-carboxamide
CID 55071184
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
1-cyano-N-(pyrimidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114110948
1-cyano-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 103709251
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 104579035

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide (CID 61461590) is 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide is Cc1ccc(CNC(=O)C2(C#N)CCCCC2)cn1.
What is the InChIKey of 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is HEKCKYNDVSKYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-5-6-13(9-17-12)10-18-14(19)15(11-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61461590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).