N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C18H27N3O — CID 122568191

IUPACN-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCCC(NC(=O)C1(N2CCCC2)CCCC1)c1ccccn1
InChIInChI=1S/C18H27N3O/c1-2-15(16-9-3-6-12-19-16)20-17(22)18(10-4-5-11-18)21-13-7-8-14-21/h3,6,9,12,15H,2,4-5,7-8,10-11,13-14H2,1H3,(H,20,22)
InChIKeyRQWFTYILWVLCOI-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.06
Rot. Bonds5

About N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 122568191) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID122568191
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCCC(NC(=O)C1(N2CCCC2)CCCC1)c1ccccn1
InChIInChI=1S/C18H27N3O/c1-2-15(16-9-3-6-12-19-16)20-17(22)18(10-4-5-11-18)21-13-7-8-14-21/h3,6,9,12,15H,2,4-5,7-8,10-11,13-14H2,1H3,(H,20,22)
InChIKeyRQWFTYILWVLCOI-UHFFFAOYSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-2-ylpropyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 125444826
1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
CID 91787819
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 124852129
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91788138
N-[phenyl(pyridin-4-yl)methyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 131921884
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide
CID 101160308
1-(4-chlorophenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 91776945
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
2-(azepan-1-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]acetamide
CID 125437016
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
CID 91775087
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-pyridin-2-ylpropyl]acetamide
CID 95228796

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 122568191) is N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is CCC(NC(=O)C1(N2CCCC2)CCCC1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is RQWFTYILWVLCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-15(16-9-3-6-12-19-16)20-17(22)18(10-4-5-11-18)21-13-7-8-14-21/h3,6,9,12,15H,2,4-5,7-8,10-11,13-14H2,1H3,(H,20,22).
What are the key properties of N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 122568191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).