N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide

C21H21N3O2 — CID 71896675

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1cccc2ncccc12
InChIInChI=1S/C21H21N3O2/c25-20(18-9-3-11-19-17(18)10-5-12-22-19)24-14-15-6-4-13-23-21(15)26-16-7-1-2-8-16/h3-6,9-13,16H,1-2,7-8,14H2,(H,24,25)
InChIKeyHNOQQECYDVWAHM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.88
Rot. Bonds5

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide (PubChem CID 71896675) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
PubChem CID71896675
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1cccc2ncccc12
InChIInChI=1S/C21H21N3O2/c25-20(18-9-3-11-19-17(18)10-5-12-22-19)24-14-15-6-4-13-23-21(15)26-16-7-1-2-8-16/h3-6,9-13,16H,1-2,7-8,14H2,(H,24,25)
InChIKeyHNOQQECYDVWAHM-UHFFFAOYSA-N
XLogP3.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 124742659
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47029191
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044376
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide (CID 71896675) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide is O=C(NCc1cccnc1OC1CCCC1)c1cccc2ncccc12.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide?
The InChIKey is HNOQQECYDVWAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(18-9-3-11-19-17(18)10-5-12-22-19)24-14-15-6-4-13-23-21(15)26-16-7-1-2-8-16/h3-6,9-13,16H,1-2,7-8,14H2,(H,24,25).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 71896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).