N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide

C26H35N3O — CID 42394839

IUPACN-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccccc1CCN1CCC(CN(C(=O)c2ccncc2)C2CCCC2)CC1
InChIInChI=1S/C26H35N3O/c1-21-6-2-3-7-23(21)14-19-28-17-12-22(13-18-28)20-29(25-8-4-5-9-25)26(30)24-10-15-27-16-11-24/h2-3,6-7,10-11,15-16,22,25H,4-5,8-9,12-14,17-20H2,1H3
InChIKeyKPHIMYYBJTWSQH-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.73
Rot. Bonds7

About N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide

N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide (PubChem CID 42394839) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
PubChem CID42394839
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccccc1CCN1CCC(CN(C(=O)c2ccncc2)C2CCCC2)CC1
InChIInChI=1S/C26H35N3O/c1-21-6-2-3-7-23(21)14-19-28-17-12-22(13-18-28)20-29(25-8-4-5-9-25)26(30)24-10-15-27-16-11-24/h2-3,6-7,10-11,15-16,22,25H,4-5,8-9,12-14,17-20H2,1H3
InChIKeyKPHIMYYBJTWSQH-UHFFFAOYSA-N
XLogP4.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 42394443
N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-4-oxopentanamide
CID 25310263
N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
CID 42508337
N-cyclopentyl-4,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45221890
1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide
CID 25386243
N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42212425
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
(2R)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97279230
N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide
CID 45206163
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide (CID 42394839) is N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide is Cc1ccccc1CCN1CCC(CN(C(=O)c2ccncc2)C2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide?
The InChIKey is KPHIMYYBJTWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-21-6-2-3-7-23(21)14-19-28-17-12-22(13-18-28)20-29(25-8-4-5-9-25)26(30)24-10-15-27-16-11-24/h2-3,6-7,10-11,15-16,22,25H,4-5,8-9,12-14,17-20H2,1H3.
What are the key properties of N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide?
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide has a molecular weight of 405.59 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 42394839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).