N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide

C20H15F4N3O2 — CID 172656289

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1ccn(-c2cccnc2)c(=O)c1C(=O)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H15F4N3O2/c1-12-4-6-27(16-3-2-5-25-11-16)19(29)17(12)18(28)26-10-13-7-14(20(22,23)24)9-15(21)8-13/h2-9,11H,10H2,1H3,(H,26,28)
InChIKeyRZNGQEMWYQBEPN-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.63
Rot. Bonds4

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 172656289) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
PubChem CID172656289
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1ccn(-c2cccnc2)c(=O)c1C(=O)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H15F4N3O2/c1-12-4-6-27(16-3-2-5-25-11-16)19(29)17(12)18(28)26-10-13-7-14(20(22,23)24)9-15(21)8-13/h2-9,11H,10H2,1H3,(H,26,28)
InChIKeyRZNGQEMWYQBEPN-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
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)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660894
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
CID 172658239
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 172658394
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172657525
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
4-methyl-2-oxo-1-(pyridin-3-ylmethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 172666114
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534
6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 90347490
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065
methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate
CID 172656543

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide (CID 172656289) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide is Cc1ccn(-c2cccnc2)c(=O)c1C(=O)NCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is RZNGQEMWYQBEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c1-12-4-6-27(16-3-2-5-25-11-16)19(29)17(12)18(28)26-10-13-7-14(20(22,23)24)9-15(21)8-13/h2-9,11H,10H2,1H3,(H,26,28).
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 172656289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).