2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide

C18H27N3O — CID 140519169

IUPAC2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1C1CCCCC1CN1CCCCC1
InChIInChI=1S/C18H27N3O/c19-18(22)16-9-6-10-20-17(16)15-8-3-2-7-14(15)13-21-11-4-1-5-12-21/h6,9-10,14-15H,1-5,7-8,11-13H2,(H2,19,22)
InChIKeyNELOAQINYCFMIC-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.94
Rot. Bonds4

About 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide

2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 140519169) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID140519169
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1C1CCCCC1CN1CCCCC1
InChIInChI=1S/C18H27N3O/c19-18(22)16-9-6-10-20-17(16)15-8-3-2-7-14(15)13-21-11-4-1-5-12-21/h6,9-10,14-15H,1-5,7-8,11-13H2,(H2,19,22)
InChIKeyNELOAQINYCFMIC-UHFFFAOYSA-N
XLogP2.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide (CID 140519169) is 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide is NC(=O)c1cccnc1C1CCCCC1CN1CCCCC1.
What is the InChIKey of 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is NELOAQINYCFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c19-18(22)16-9-6-10-20-17(16)15-8-3-2-7-14(15)13-21-11-4-1-5-12-21/h6,9-10,14-15H,1-5,7-8,11-13H2,(H2,19,22).
What are the key properties of 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide?
2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 140519169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).