N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C18H12ClF3N4O2 — CID 56961661

IUPACN-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)c1ccncn1
InChIInChI=1S/C18H12ClF3N4O2/c19-12-3-1-11(2-4-12)14-7-13(8-24-17(14)28-9-18(20,21)22)26-16(27)15-5-6-23-10-25-15/h1-8,10H,9H2,(H,26,27)
InChIKeyQEGMLKWEGDPPGF-UHFFFAOYSA-N
MW408.77 g/mol
LogP4.39
Rot. Bonds5

About N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 56961661) has the molecular formula C18H12ClF3N4O2 and a molecular weight of 408.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID56961661
Molecular FormulaC18H12ClF3N4O2
Molecular Weight408.77 g/mol
Exact Mass408.06
IUPAC NameN-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)c1ccncn1
InChIInChI=1S/C18H12ClF3N4O2/c19-12-3-1-11(2-4-12)14-7-13(8-24-17(14)28-9-18(20,21)22)26-16(27)15-5-6-23-10-25-15/h1-8,10H,9H2,(H,26,27)
InChIKeyQEGMLKWEGDPPGF-UHFFFAOYSA-N
XLogP4.39
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[(7-chloro-4-quinazolinyl)oxy]-3-pyridinyl}-4-fluorobenzamide
CID 2813565
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide
CID 71290096
4-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)picolinamide
CID 72201441
6-(Pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)picolinamide
CID 72201442
US11072585, Example 88
CID 122516933
3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-pyrimidin-5-ylbenzamide;hydrochloride
CID 132253041
3-[[6-(aminomethyl)pyrimidin-4-yl]oxymethyl]-N-[(2-chloro-4-pyridinyl)methyl]benzamide;hydrochloride
CID 135186063
6-[benzyl(methyl)amino]-N-(6-methoxy-3-pyridinyl)pyrimidine-4-carboxamide
CID 155547517
6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
CID 134145276
2-(3-fluoro-4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134542972
2-(4-methoxyanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556468
N-(4-phenylpyridin-3-yl)-2-[4-(trifluoromethoxy)anilino]pyrimidine-4-carboxamide
CID 134556594

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 56961661) is N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is O=C(Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1)c1ccncn1.
What is the InChIKey of N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is QEGMLKWEGDPPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O2/c19-12-3-1-11(2-4-12)14-7-13(8-24-17(14)28-9-18(20,21)22)26-16(27)15-5-6-23-10-25-15/h1-8,10H,9H2,(H,26,27).
What are the key properties of N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 408.77 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 56961661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).