1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide

C22H18FN5O2 — CID 172658394

IUPAC1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H18FN5O2/c1-15-10-11-27(18-8-4-17(23)5-9-18)22(30)20(15)21(29)25-12-16-2-6-19(7-3-16)28-14-24-13-26-28/h2-11,13-14H,12H2,1H3,(H,25,29)
InChIKeyNQTAXOJPMHVQSR-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide

1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 172658394) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID172658394
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H18FN5O2/c1-15-10-11-27(18-8-4-17(23)5-9-18)22(30)20(15)21(29)25-12-16-2-6-19(7-3-16)28-14-24-13-26-28/h2-11,13-14H,12H2,1H3,(H,25,29)
InChIKeyNQTAXOJPMHVQSR-UHFFFAOYSA-N
XLogP2.80
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 172673401
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172657525
1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660894
3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 167814570
3-[(4-fluorophenyl)methyl]-1-methyl-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 51325866
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 112828582
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
CID 172656289
methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate
CID 175641008
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268
2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide
CID 71893303

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide (CID 172658394) is 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NQTAXOJPMHVQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-15-10-11-27(18-8-4-17(23)5-9-18)22(30)20(15)21(29)25-12-16-2-6-19(7-3-16)28-14-24-13-26-28/h2-11,13-14H,12H2,1H3,(H,25,29).
What are the key properties of 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide?
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 403.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 172658394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).