N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C19H20F3N3O2 — CID 138042321

IUPACN-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-c2ccc(NC(=O)C3CCCC(C(F)(F)F)C3)cc2)n1
InChIInChI=1S/C19H20F3N3O2/c1-11-9-16(26)25-17(23-11)12-5-7-15(8-6-12)24-18(27)13-3-2-4-14(10-13)19(20,21)22/h5-9,13-14H,2-4,10H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyCMHURVATQRYCNS-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.05
Rot. Bonds3

About N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 138042321) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID138042321
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1cc(=O)[nH]c(-c2ccc(NC(=O)C3CCCC(C(F)(F)F)C3)cc2)n1
InChIInChI=1S/C19H20F3N3O2/c1-11-9-16(26)25-17(23-11)12-5-7-15(8-6-12)24-18(27)13-3-2-4-14(10-13)19(20,21)22/h5-9,13-14H,2-4,10H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyCMHURVATQRYCNS-UHFFFAOYSA-N
XLogP4.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
2-methyl-2-[4-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 119254310
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115661550
N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119515799
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 137064245
2-[3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119352029
N-[3-(methylaminomethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119441034
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60509557

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 138042321) is N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C3CCCC(C(F)(F)F)C3)cc2)n1.
What is the InChIKey of N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is CMHURVATQRYCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11-9-16(26)25-17(23-11)12-5-7-15(8-6-12)24-18(27)13-3-2-4-14(10-13)19(20,21)22/h5-9,13-14H,2-4,10H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 138042321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).