N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide

C16H24N2O2 — CID 56782285

IUPACN-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
SMILESCOCCCN(Cc1ccncc1)C(=O)C1CCCC1
InChIInChI=1S/C16H24N2O2/c1-20-12-4-11-18(13-14-7-9-17-10-8-14)16(19)15-5-2-3-6-15/h7-10,15H,2-6,11-13H2,1H3
InChIKeyXVAGBMUCABCIML-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds7

About N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide

N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide (PubChem CID 56782285) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
PubChem CID56782285
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
SMILESCOCCCN(Cc1ccncc1)C(=O)C1CCCC1
InChIInChI=1S/C16H24N2O2/c1-20-12-4-11-18(13-14-7-9-17-10-8-14)16(19)15-5-2-3-6-15/h7-10,15H,2-6,11-13H2,1H3
InChIKeyXVAGBMUCABCIML-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 3550136
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclobutanecarboxamide
CID 3991241
methyl 2-[[cyclohexanecarbonyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766774
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
N-(3-aminopropyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 63287770
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 3691170
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 4992942
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 26402693
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 72688526

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide (CID 56782285) is N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide is COCCCN(Cc1ccncc1)C(=O)C1CCCC1.
What is the InChIKey of N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide?
The InChIKey is XVAGBMUCABCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-12-4-11-18(13-14-7-9-17-10-8-14)16(19)15-5-2-3-6-15/h7-10,15H,2-6,11-13H2,1H3.
What are the key properties of N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide?
N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 56782285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).