2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide

C15H20N4O3 — CID 91776501

IUPAC2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1ccnn1CCO
InChIInChI=1S/C15H20N4O3/c1-10-8-11(2)18-15(22-3)12(10)9-16-14(21)13-4-5-17-19(13)6-7-20/h4-5,8,20H,6-7,9H2,1-3H3,(H,16,21)
InChIKeyBYGNCFNWGWWWBS-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.83
Rot. Bonds6

About 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide

2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 91776501) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID91776501
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1ccnn1CCO
InChIInChI=1S/C15H20N4O3/c1-10-8-11(2)18-15(22-3)12(10)9-16-14(21)13-4-5-17-19(13)6-7-20/h4-5,8,20H,6-7,9H2,1-3H3,(H,16,21)
InChIKeyBYGNCFNWGWWWBS-UHFFFAOYSA-N
XLogP0.83
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50971649
3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162629903
trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 138008683
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 50950633
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 97120000
(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 91779133
N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
CID 46991930
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide
CID 170510905
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide (CID 91776501) is 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide is COc1nc(C)cc(C)c1CNC(=O)c1ccnn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is BYGNCFNWGWWWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-8-11(2)18-15(22-3)12(10)9-16-14(21)13-4-5-17-19(13)6-7-20/h4-5,8,20H,6-7,9H2,1-3H3,(H,16,21).
What are the key properties of 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide?
2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91776501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).