5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide

C23H21F2N7O2 — CID 146431033

IUPAC5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(C(F)F)nc3)cn(C)c2=O)n1
InChIInChI=1S/C23H21F2N7O2/c1-13(2)32-12-27-30-21(32)18-5-4-6-19(28-18)29-22(33)16-9-15(11-31(3)23(16)34)14-7-8-17(20(24)25)26-10-14/h4-13,20H,1-3H3,(H,28,29,33)
InChIKeyQJQPKLDTTMEZOC-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.87
Rot. Bonds6

About 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide

5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 146431033) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID146431033
Molecular FormulaC23H21F2N7O2
Molecular Weight465.46 g/mol
Exact Mass465.17
IUPAC Name5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(C(F)F)nc3)cn(C)c2=O)n1
InChIInChI=1S/C23H21F2N7O2/c1-13(2)32-12-27-30-21(32)18-5-4-6-19(28-18)29-22(33)16-9-15(11-31(3)23(16)34)14-7-8-17(20(24)25)26-10-14/h4-13,20H,1-3H3,(H,28,29,33)
InChIKeyQJQPKLDTTMEZOC-UHFFFAOYSA-N
XLogP3.87
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 146431033) is 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(-c3ccc(C(F)F)nc3)cn(C)c2=O)n1.
What is the InChIKey of 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is QJQPKLDTTMEZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-13(2)32-12-27-30-21(32)18-5-4-6-19(28-18)29-22(33)16-9-15(11-31(3)23(16)34)14-7-8-17(20(24)25)26-10-14/h4-13,20H,1-3H3,(H,28,29,33).
What are the key properties of 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 146431033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).