N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide

C19H27N3O2 — CID 3563218

IUPACN-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1(C(=O)NC2CCCCC2)CCCCC1)c1ccccn1
InChIInChI=1S/C19H27N3O2/c23-17(16-11-5-8-14-20-16)22-19(12-6-2-7-13-19)18(24)21-15-9-3-1-4-10-15/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2,(H,21,24)(H,22,23)
InChIKeyVYBAZYZKTGIZAN-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.96
Rot. Bonds4

About N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide

N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide (PubChem CID 3563218) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide
PubChem CID3563218
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1(C(=O)NC2CCCCC2)CCCCC1)c1ccccn1
InChIInChI=1S/C19H27N3O2/c23-17(16-11-5-8-14-20-16)22-19(12-6-2-7-13-19)18(24)21-15-9-3-1-4-10-15/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2,(H,21,24)(H,22,23)
InChIKeyVYBAZYZKTGIZAN-UHFFFAOYSA-N
XLogP2.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide (CID 3563218) is N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide is O=C(NC1(C(=O)NC2CCCCC2)CCCCC1)c1ccccn1.
What is the InChIKey of N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is VYBAZYZKTGIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-17(16-11-5-8-14-20-16)22-19(12-6-2-7-13-19)18(24)21-15-9-3-1-4-10-15/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2,(H,21,24)(H,22,23).
What are the key properties of N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide?
N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylcarbamoyl)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 3563218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).