6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide

C17H13F2N5O2 — CID 90293259

IUPAC6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1
InChIInChI=1S/C17H13F2N5O2/c1-10-2-3-15(22-6-10)24-17(25)14-5-11(4-13(23-14)16(18)19)26-12-7-20-9-21-8-12/h2-9,16H,1H3,(H,22,24,25)
InChIKeyFYKZUMGCYKQKGE-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.56
Rot. Bonds5

About 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide

6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide (PubChem CID 90293259) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
PubChem CID90293259
Molecular FormulaC17H13F2N5O2
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1
InChIInChI=1S/C17H13F2N5O2/c1-10-2-3-15(22-6-10)24-17(25)14-5-11(4-13(23-14)16(18)19)26-12-7-20-9-21-8-12/h2-9,16H,1H3,(H,22,24,25)
InChIKeyFYKZUMGCYKQKGE-UHFFFAOYSA-N
XLogP3.56
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide (CID 90293259) is 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1.
What is the InChIKey of 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The InChIKey is FYKZUMGCYKQKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2/c1-10-2-3-15(22-6-10)24-17(25)14-5-11(4-13(23-14)16(18)19)26-12-7-20-9-21-8-12/h2-9,16H,1H3,(H,22,24,25).
What are the key properties of 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide?
6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide has a molecular weight of 357.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide is sourced from PubChem (CID 90293259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).