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

C16H10F3N5O2 — CID 90293260

IUPAC6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)cc(C(F)F)n1
InChIInChI=1S/C16H10F3N5O2/c17-9-1-2-14(22-5-9)24-16(25)13-4-10(3-12(23-13)15(18)19)26-11-6-20-8-21-7-11/h1-8,15H,(H,22,24,25)
InChIKeyFFNFOPGYCMQCGD-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.39
Rot. Bonds5

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

6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide (PubChem CID 90293260) has the molecular formula C16H10F3N5O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
PubChem CID90293260
Molecular FormulaC16H10F3N5O2
Molecular Weight361.28 g/mol
Exact Mass361.08
IUPAC Name6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)cc(C(F)F)n1
InChIInChI=1S/C16H10F3N5O2/c17-9-1-2-14(22-5-9)24-16(25)13-4-10(3-12(23-13)15(18)19)26-11-6-20-8-21-7-11/h1-8,15H,(H,22,24,25)
InChIKeyFFNFOPGYCMQCGD-UHFFFAOYSA-N
XLogP3.39
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.39
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-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide (CID 90293260) is 6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide is O=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The InChIKey is FFNFOPGYCMQCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2/c17-9-1-2-14(22-5-9)24-16(25)13-4-10(3-12(23-13)15(18)19)26-11-6-20-8-21-7-11/h1-8,15H,(H,22,24,25).
What are the key properties of 6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide?
6-(difluoromethyl)-N-(5-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide has a molecular weight of 361.28 g/mol, XLogP of 3.39, 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-fluoro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide is sourced from PubChem (CID 90293260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).