N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide

C21H23FN4O2 — CID 172657525

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C21H23FN4O2/c1-13-9-10-26(16-7-5-14(22)6-8-16)20(28)18(13)19(27)23-12-15-11-17(25-24-15)21(2,3)4/h5-11H,12H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyADVKBDUJXSYAFE-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.24
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172657525) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172657525
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C21H23FN4O2/c1-13-9-10-26(16-7-5-14(22)6-8-16)20(28)18(13)19(27)23-12-15-11-17(25-24-15)21(2,3)4/h5-11H,12H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyADVKBDUJXSYAFE-UHFFFAOYSA-N
XLogP3.24
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 172673401
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 172658394
1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660894
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
CID 172656289
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
CID 59481266
1-(4-fluorophenyl)-4-methyl-2-oxo-N-(6-oxo-1H-pyridin-2-yl)pyridine-3-carboxamide
CID 175644006
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97207810
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172663121
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665894
methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate
CID 175641008
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77084061

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide (CID 172657525) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is ADVKBDUJXSYAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-9-10-26(16-7-5-14(22)6-8-16)20(28)18(13)19(27)23-12-15-11-17(25-24-15)21(2,3)4/h5-11H,12H2,1-4H3,(H,23,27)(H,24,25).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172657525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).