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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Related Compounds

2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
2-(azepan-1-ylmethyl)cycloheptan-1-amine
CID 62616403
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 70705274
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63855115
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
2-[6-[4-(2-cyclohexylacetyl)piperazin-1-yl]hexyl]pyridine-3-carboxamide
CID 68739894
2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 140776979

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).