1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide

C15H19N3O — CID 61463136

IUPAC1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C#N)CCCCC1)c1ccccn1
InChIInChI=1S/C15H19N3O/c1-12(13-7-3-6-10-17-13)18-14(19)15(11-16)8-4-2-5-9-15/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,18,19)
InChIKeyDGRVNVDNNPHGOF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.73
Rot. Bonds3

About 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide

1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 61463136) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID61463136
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C#N)CCCCC1)c1ccccn1
InChIInChI=1S/C15H19N3O/c1-12(13-7-3-6-10-17-13)18-14(19)15(11-16)8-4-2-5-9-15/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,18,19)
InChIKeyDGRVNVDNNPHGOF-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81179767
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1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
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2-(1-aminocyclopentyl)-N-(1-pyridin-2-ylethyl)acetamide
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3-ethyl-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
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1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide
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2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
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N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
1-[(1-pyridin-2-ylethylamino)methyl]cyclohexan-1-ol
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N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide (CID 61463136) is 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide is CC(NC(=O)C1(C#N)CCCCC1)c1ccccn1.
What is the InChIKey of 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is DGRVNVDNNPHGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(13-7-3-6-10-17-13)18-14(19)15(11-16)8-4-2-5-9-15/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61463136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).