N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide

C18H10F6N4O — CID 1488499

IUPACN-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnc(-c2cccnc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H10F6N4O/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)16(29)28-14-3-5-26-15(27-14)10-2-1-4-25-9-10/h1-9H,(H,26,27,28,29)
InChIKeyQFKCSDULBJZIEW-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.83
Rot. Bonds3

About N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide

N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 1488499) has the molecular formula C18H10F6N4O and a molecular weight of 412.29 g/mol. Its IUPAC name is N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID1488499
Molecular FormulaC18H10F6N4O
Molecular Weight412.29 g/mol
Exact Mass412.08
IUPAC NameN-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1ccnc(-c2cccnc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H10F6N4O/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)16(29)28-14-3-5-26-15(27-14)10-2-1-4-25-9-10/h1-9H,(H,26,27,28,29)
InChIKeyQFKCSDULBJZIEW-UHFFFAOYSA-N
XLogP4.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide (CID 1488499) is N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1ccnc(-c2cccnc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is QFKCSDULBJZIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N4O/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)16(29)28-14-3-5-26-15(27-14)10-2-1-4-25-9-10/h1-9H,(H,26,27,28,29).
What are the key properties of N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 412.29 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 1488499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).