6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide

C17H15F3N2O2 — CID 95977242

IUPAC6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C17H15F3N2O2/c1-9-5-6-12(15(23)21-9)16(24)22-14-8-13(14)10-3-2-4-11(7-10)17(18,19)20/h2-7,13-14H,8H2,1H3,(H,21,23)(H,22,24)/t13-,14-/m0/s1
InChIKeyLIWAQJPRFUUKJA-KBPBESRZSA-N
MW336.31 g/mol
LogP2.99
Rot. Bonds3

About 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide

6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide (PubChem CID 95977242) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide
PubChem CID95977242
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C17H15F3N2O2/c1-9-5-6-12(15(23)21-9)16(24)22-14-8-13(14)10-3-2-4-11(7-10)17(18,19)20/h2-7,13-14H,8H2,1H3,(H,21,23)(H,22,24)/t13-,14-/m0/s1
InChIKeyLIWAQJPRFUUKJA-KBPBESRZSA-N
XLogP2.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977243
2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 97213190
6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 98768691
[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
CID 90214126
(3S,5S)-5-(pyrrolidine-1-carbonyl)-N-[(2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrrolidine-3-carboxamide
CID 71064710
N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 97002379
2-N-tert-butyl-8-N-[(1S,2R)-2-phenylcyclopropyl]-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,8-dicarboxamide
CID 140811059
methyl 2-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]acetate
CID 101035785
N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 81417477
1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60595790
[(3S,4R)-1-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamic acid
CID 118128720
3-pyridin-2-yl-N-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95246047

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide (CID 95977242) is 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide?
The InChIKey is LIWAQJPRFUUKJA-KBPBESRZSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-9-5-6-12(15(23)21-9)16(24)22-14-8-13(14)10-3-2-4-11(7-10)17(18,19)20/h2-7,13-14H,8H2,1H3,(H,21,23)(H,22,24)/t13-,14-/m0/s1.
What are the key properties of 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95977242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).