N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide

C24H20F3N3O2 — CID 71797079

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)20-13-17(14-9-10-14)29-21(30-20)11-12-28-23(31)22-15-5-1-3-7-18(15)32-19-8-4-2-6-16(19)22/h1-8,13-14,22H,9-12H2,(H,28,31)
InChIKeyYIZXRCJKUWLAQF-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.97
Rot. Bonds5

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide (PubChem CID 71797079) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide
PubChem CID71797079
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)20-13-17(14-9-10-14)29-21(30-20)11-12-28-23(31)22-15-5-1-3-7-18(15)32-19-8-4-2-6-16(19)22/h1-8,13-14,22H,9-12H2,(H,28,31)
InChIKeyYIZXRCJKUWLAQF-UHFFFAOYSA-N
XLogP4.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide
CID 1221732
N-pyrimidin-2-yl-9H-xanthene-9-carboxamide
CID 709846
N-(4,6-dimethylpyrimidin-2-yl)-9H-xanthene-9-carboxamide
CID 670758
N-(6-methylpyridin-2-yl)-9H-xanthene-9-carboxamide
CID 1116305
N-(5-methylpyridin-2-yl)-9H-xanthene-9-carboxamide
CID 2263698
1-[4-[2-Amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-2-phenylethanone
CID 44275565
1-[4-[2-Amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 44275587
2-ethoxy-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide
CID 91809943
4-[[[4-[(2-Methoxyphenyl)methylamino]-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 118724788
2-[4-(4-methoxyanilino)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 145983985
3-(4-methoxyphenyl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propanamide
CID 71796975
2-ethoxy-N-(2-(4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl)benzamide
CID 71797119

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide (CID 71797079) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide is O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is YIZXRCJKUWLAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)20-13-17(14-9-10-14)29-21(30-20)11-12-28-23(31)22-15-5-1-3-7-18(15)32-19-8-4-2-6-16(19)22/h1-8,13-14,22H,9-12H2,(H,28,31).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 71797079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).