N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

C18H17F3N2O2 — CID 71909108

IUPACN-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCn1c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cccc1=O
InChIInChI=1S/C18H17F3N2O2/c1-22-15(3-2-4-16(22)24)17(25)23(14-9-10-14)11-12-5-7-13(8-6-12)18(19,20)21/h2-8,14H,9-11H2,1H3
InChIKeyBDMUFJYTPXHVHU-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.21
Rot. Bonds4

About N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 71909108) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID71909108
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCn1c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cccc1=O
InChIInChI=1S/C18H17F3N2O2/c1-22-15(3-2-4-16(22)24)17(25)23(14-9-10-14)11-12-5-7-13(8-6-12)18(19,20)21/h2-8,14H,9-11H2,1H3
InChIKeyBDMUFJYTPXHVHU-UHFFFAOYSA-N
XLogP3.21
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
N-cyclopropyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 25352952
N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 46588656
N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99440805
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
CID 38363519
N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38531982
N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99440786
N-cyclopropyl-3-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37483522
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 87016290
2-(4-acetamidophenyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 31819420

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (CID 71909108) is N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is Cn1c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cccc1=O.
What is the InChIKey of N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is BDMUFJYTPXHVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-22-15(3-2-4-16(22)24)17(25)23(14-9-10-14)11-12-5-7-13(8-6-12)18(19,20)21/h2-8,14H,9-11H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71909108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).