N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C18H12F4N4O — CID 1475155

IUPACN-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc(-c2ccccn2)nc1C(F)(F)F
InChIInChI=1S/C18H12F4N4O/c19-12-6-4-11(5-7-12)9-25-17(27)13-10-24-16(14-3-1-2-8-23-14)26-15(13)18(20,21)22/h1-8,10H,9H2,(H,25,27)
InChIKeyPUNMEJBRTBMMMD-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.63
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide

N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 1475155) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID1475155
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc(-c2ccccn2)nc1C(F)(F)F
InChIInChI=1S/C18H12F4N4O/c19-12-6-4-11(5-7-12)9-25-17(27)13-10-24-16(14-3-1-2-8-23-14)26-15(13)18(20,21)22/h1-8,10H,9H2,(H,25,27)
InChIKeyPUNMEJBRTBMMMD-UHFFFAOYSA-N
XLogP3.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 1475155) is N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cnc(-c2ccccn2)nc1C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is PUNMEJBRTBMMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c19-12-6-4-11(5-7-12)9-25-17(27)13-10-24-16(14-3-1-2-8-23-14)26-15(13)18(20,21)22/h1-8,10H,9H2,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 1475155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).