5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide

C23H21N5O2 — CID 75462984

IUPAC5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)nn1-c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-17-25-22(26-28(17)20-7-3-2-4-8-20)23(30)24-15-18-10-12-19(13-11-18)16-27-14-6-5-9-21(27)29/h2-14H,15-16H2,1H3,(H,24,30)
InChIKeyLCDCZNBDNSFSMJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.72
Rot. Bonds6

About 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide

5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 75462984) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID75462984
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)nn1-c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-17-25-22(26-28(17)20-7-3-2-4-8-20)23(30)24-15-18-10-12-19(13-11-18)16-27-14-6-5-9-21(27)29/h2-14H,15-16H2,1H3,(H,24,30)
InChIKeyLCDCZNBDNSFSMJ-UHFFFAOYSA-N
XLogP2.72
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099
2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 71881348
2-ethyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]butanamide
CID 51092538
N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 86832361
2-(methoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 51125144
5-cyclopropyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881405
1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 24538480
5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881682
1-(4-chlorophenyl)-5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 78902164
4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
CID 47071053
1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 47071678
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 55432850

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 75462984) is 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LCDCZNBDNSFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-17-25-22(26-28(17)20-7-3-2-4-8-20)23(30)24-15-18-10-12-19(13-11-18)16-27-14-6-5-9-21(27)29/h2-14H,15-16H2,1H3,(H,24,30).
What are the key properties of 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 75462984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).