N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide

C20H22N4O2 — CID 55814944

IUPACN-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C20H22N4O2/c1-23(20(26)15-24-13-6-5-11-19(24)25)12-7-10-17-14-18(22-21-17)16-8-3-2-4-9-16/h2-6,8-9,11,13-14H,7,10,12,15H2,1H3,(H,21,22)
InChIKeyVWKLAWTUPNWMEA-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.33
Rot. Bonds7

About N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide

N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide (PubChem CID 55814944) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
PubChem CID55814944
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C20H22N4O2/c1-23(20(26)15-24-13-6-5-11-19(24)25)12-7-10-17-14-18(22-21-17)16-8-3-2-4-9-16/h2-6,8-9,11,13-14H,7,10,12,15H2,1H3,(H,21,22)
InChIKeyVWKLAWTUPNWMEA-UHFFFAOYSA-N
XLogP2.33
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 87020189
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
CID 55959883
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403
N'-(2-cyanoethyl)-N-methyl-N'-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanediamide
CID 56577930
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
CID 55970028
N-methyl-2-(4-nitrophenyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55813861
N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide
CID 55813894
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide (CID 55814944) is N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1ccccc1=O.
What is the InChIKey of N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The InChIKey is VWKLAWTUPNWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23(20(26)15-24-13-6-5-11-19(24)25)12-7-10-17-14-18(22-21-17)16-8-3-2-4-9-16/h2-6,8-9,11,13-14H,7,10,12,15H2,1H3,(H,21,22).
What are the key properties of N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 55814944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).