2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide

C17H22N4O2 — CID 163996712

IUPAC2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](C)C3)[nH]n2)ccn1
InChIInChI=1S/C17H22N4O2/c1-11-3-4-13(7-11)14-10-15(21-20-14)19-16(22)8-12-5-6-18-17(9-12)23-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H2,19,20,21,22)/t11-,13+/m1/s1
InChIKeyUFHUAPSZPHSASU-YPMHNXCESA-N
MW314.39 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide

2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 163996712) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide
PubChem CID163996712
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide
SMILESCOc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](C)C3)[nH]n2)ccn1
InChIInChI=1S/C17H22N4O2/c1-11-3-4-13(7-11)14-10-15(21-20-14)19-16(22)8-12-5-6-18-17(9-12)23-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H2,19,20,21,22)/t11-,13+/m1/s1
InChIKeyUFHUAPSZPHSASU-YPMHNXCESA-N
XLogP2.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3S)-3-[3-[[2-(2-methoxy-4-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-3-methoxy-2-methylazetidine-1-carboxylate
CID 155041079
2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
CID 170160025
[3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025557
propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079558
[(3S)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl (2S,3S)-2,3-dimethylazetidine-1-carboxylate
CID 154664654
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
N-[5-[3-[(3-methoxy-2-pyridinyl)oxy]cyclobutyl]-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide
CID 11430283
2-[4-(2-acetylphenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176957
butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169013946
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779392

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide (CID 163996712) is 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide is COc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](C)C3)[nH]n2)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is UFHUAPSZPHSASU-YPMHNXCESA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-3-4-13(7-11)14-10-15(21-20-14)19-16(22)8-12-5-6-18-17(9-12)23-2/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H2,19,20,21,22)/t11-,13+/m1/s1.
What are the key properties of 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide?
2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-N-[5-[(1S,3R)-3-methylcyclopentyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 163996712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).