1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide

C22H24N4O3 — CID 172664827

IUPAC1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-n2cc(C(C)NC(=O)c3c(C)ccn(C4CC4)c3=O)cn2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-10-11-25(17-4-5-17)22(28)20(14)21(27)24-15(2)16-12-23-26(13-16)18-6-8-19(29-3)9-7-18/h6-13,15,17H,4-5H2,1-3H3,(H,24,27)
InChIKeyGIUASZFBWAGRDL-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.18
Rot. Bonds6

About 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide

1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172664827) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172664827
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-n2cc(C(C)NC(=O)c3c(C)ccn(C4CC4)c3=O)cn2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-10-11-25(17-4-5-17)22(28)20(14)21(27)24-15(2)16-12-23-26(13-16)18-6-8-19(29-3)9-7-18/h6-13,15,17H,4-5H2,1-3H3,(H,24,27)
InChIKeyGIUASZFBWAGRDL-UHFFFAOYSA-N
XLogP3.18
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124136
4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide
CID 125164865
2-ethylsulfanyl-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
CID 125159919
2-ethylsulfanyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
CID 118760994
2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid
CID 163341143
2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
CID 90653845
3-acetamido-N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]propanamide
CID 125159370
3-(azepan-1-yl)-N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]propanamide
CID 125175106
4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172668009
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439129
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439130
3-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 125444689

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide (CID 172664827) is 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide is COc1ccc(-n2cc(C(C)NC(=O)c3c(C)ccn(C4CC4)c3=O)cn2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GIUASZFBWAGRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-10-11-25(17-4-5-17)22(28)20(14)21(27)24-15(2)16-12-23-26(13-16)18-6-8-19(29-3)9-7-18/h6-13,15,17H,4-5H2,1-3H3,(H,24,27).
What are the key properties of 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide?
1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).