N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide

C23H17F3N6O3 — CID 146650320

IUPACN-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2ccncc2)nn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17F3N6O3/c1-14-4-2-3-5-18(14)20(34)29-22-30-21(28-19(33)15-10-12-27-13-11-15)31-32(22)16-6-8-17(9-7-16)35-23(24,25)26/h2-13H,1H3,(H2,28,29,30,31,33,34)
InChIKeyQOBPHIPMXPZYFE-UHFFFAOYSA-N
MW482.42 g/mol
LogP4.37
Rot. Bonds6

About N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide

N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide (PubChem CID 146650320) has the molecular formula C23H17F3N6O3 and a molecular weight of 482.42 g/mol. Its IUPAC name is N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
PubChem CID146650320
Molecular FormulaC23H17F3N6O3
Molecular Weight482.42 g/mol
Exact Mass482.13
IUPAC NameN-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2ccncc2)nn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17F3N6O3/c1-14-4-2-3-5-18(14)20(34)29-22-30-21(28-19(33)15-10-12-27-13-11-15)31-32(22)16-6-8-17(9-7-16)35-23(24,25)26/h2-13H,1H3,(H2,28,29,30,31,33,34)
InChIKeyQOBPHIPMXPZYFE-UHFFFAOYSA-N
XLogP4.37
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.42
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide (CID 146650320) is N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide is Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccncc2)nn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
The InChIKey is QOBPHIPMXPZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O3/c1-14-4-2-3-5-18(14)20(34)29-22-30-21(28-19(33)15-10-12-27-13-11-15)31-32(22)16-6-8-17(9-7-16)35-23(24,25)26/h2-13H,1H3,(H2,28,29,30,31,33,34).
What are the key properties of N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide?
N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide has a molecular weight of 482.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 146650320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).