N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

C17H17F3N4O2 — CID 71797042

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)c1=O
InChIInChI=1S/C17H17F3N4O2/c1-24-8-2-3-11(16(24)26)15(25)21-7-6-14-22-12(10-4-5-10)9-13(23-14)17(18,19)20/h2-3,8-10H,4-7H2,1H3,(H,21,25)
InChIKeyGDSLFTGGEOSCME-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.04
Rot. Bonds5

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71797042) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71797042
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)c1=O
InChIInChI=1S/C17H17F3N4O2/c1-24-8-2-3-11(16(24)26)15(25)21-7-6-14-22-12(10-4-5-10)9-13(23-14)17(18,19)20/h2-3,8-10H,4-7H2,1H3,(H,21,25)
InChIKeyGDSLFTGGEOSCME-UHFFFAOYSA-N
XLogP2.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 71797042) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)c1=O.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GDSLFTGGEOSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-24-8-2-3-11(16(24)26)15(25)21-7-6-14-22-12(10-4-5-10)9-13(23-14)17(18,19)20/h2-3,8-10H,4-7H2,1H3,(H,21,25).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71797042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).