2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid

C21H24N4O5 — CID 163341143

IUPAC2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid
SMILESCCc1[nH]c(=O)ccc1C(=O)NC(C)c1cnn(-c2ccc(OC)cc2)c1.O=CO
InChIInChI=1S/C20H22N4O3.CH2O2/c1-4-18-17(9-10-19(25)23-18)20(26)22-13(2)14-11-21-24(12-14)15-5-7-16(27-3)8-6-15;2-1-3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,25);1H,(H,2,3)
InChIKeyRZIDQPYZRXXCEZ-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.32
Rot. Bonds6

About 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid

2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid (PubChem CID 163341143) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid.

Molecular Properties

Compound Name2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid
PubChem CID163341143
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid
SMILESCCc1[nH]c(=O)ccc1C(=O)NC(C)c1cnn(-c2ccc(OC)cc2)c1.O=CO
InChIInChI=1S/C20H22N4O3.CH2O2/c1-4-18-17(9-10-19(25)23-18)20(26)22-13(2)14-11-21-24(12-14)15-5-7-16(27-3)8-6-15;2-1-3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,25);1H,(H,2,3)
InChIKeyRZIDQPYZRXXCEZ-UHFFFAOYSA-N
XLogP2.32
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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
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
4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide
CID 125164865
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
1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664827
3-(azepan-1-yl)-N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]propanamide
CID 125175106
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
N-[(1R)-1-(4-methoxyphenyl)propyl]-1-phenylpyrazole-4-carboxamide
CID 27853835

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid?
The IUPAC name of 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid (CID 163341143) is 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid.
What is the SMILES notation for 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid?
The canonical SMILES for 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid is CCc1[nH]c(=O)ccc1C(=O)NC(C)c1cnn(-c2ccc(OC)cc2)c1.O=CO.
What is the InChIKey of 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid?
The InChIKey is RZIDQPYZRXXCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.CH2O2/c1-4-18-17(9-10-19(25)23-18)20(26)22-13(2)14-11-21-24(12-14)15-5-7-16(27-3)8-6-15;2-1-3/h5-13H,4H2,1-3H3,(H,22,26)(H,23,25);1H,(H,2,3).
What are the key properties of 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid?
2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid has a molecular weight of 412.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid is sourced from PubChem (CID 163341143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).