1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C20H20FN5O3 — CID 92635189

IUPAC1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cn1
InChIInChI=1S/C20H20FN5O3/c1-2-26-12-16(11-23-26)24-18(27)13-25-9-3-4-17(20(25)29)19(28)22-10-14-5-7-15(21)8-6-14/h3-9,11-12H,2,10,13H2,1H3,(H,22,28)(H,24,27)
InChIKeyDCJKIJZDNLDJDM-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.77
Rot. Bonds7

About 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 92635189) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID92635189
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cn1
InChIInChI=1S/C20H20FN5O3/c1-2-26-12-16(11-23-26)24-18(27)13-25-9-3-4-17(20(25)29)19(28)22-10-14-5-7-15(21)8-6-14/h3-9,11-12H,2,10,13H2,1H3,(H,22,28)(H,24,27)
InChIKeyDCJKIJZDNLDJDM-UHFFFAOYSA-N
XLogP1.77
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110246763
N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide
CID 110246790
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
N-(1-benzylpyrazol-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55947586
1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide
CID 134697674
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 71887573
N-(4-fluorophenyl)-1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635156
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119397

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 92635189) is 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is CCn1cc(NC(=O)Cn2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cn1.
What is the InChIKey of 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DCJKIJZDNLDJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-2-26-12-16(11-23-26)24-18(27)13-25-9-3-4-17(20(25)29)19(28)22-10-14-5-7-15(21)8-6-14/h3-9,11-12H,2,10,13H2,1H3,(H,22,28)(H,24,27).
What are the key properties of 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).