N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

C22H24N4O2 — CID 47029191

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C22H24N4O2/c27-21(13-17-14-25-26(16-17)19-8-2-1-3-9-19)24-15-18-7-6-12-23-22(18)28-20-10-4-5-11-20/h1-3,6-9,12,14,16,20H,4-5,10-11,13,15H2,(H,24,27)
InChIKeyIGGLTPVXUCFOLU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.45
Rot. Bonds7

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 47029191) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID47029191
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C22H24N4O2/c27-21(13-17-14-25-26(16-17)19-8-2-1-3-9-19)24-15-18-7-6-12-23-22(18)28-20-10-4-5-11-20/h1-3,6-9,12,14,16,20H,4-5,10-11,13,15H2,(H,24,27)
InChIKeyIGGLTPVXUCFOLU-UHFFFAOYSA-N
XLogP3.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044376
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 36604681
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47036694
4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 51942830

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 47029191) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)NCc1cccnc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is IGGLTPVXUCFOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(13-17-14-25-26(16-17)19-8-2-1-3-9-19)24-15-18-7-6-12-23-22(18)28-20-10-4-5-11-20/h1-3,6-9,12,14,16,20H,4-5,10-11,13,15H2,(H,24,27).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47029191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).