N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

C18H15F3N2O — CID 124620483

IUPACN-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1cccnc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)16-13(6-3-9-22-16)17(24)23-15-12-8-7-10-4-1-2-5-11(10)14(12)15/h1-6,9,12,14-15H,7-8H2,(H,23,24)/t12-,14+,15+/m0/s1
InChIKeyIVZMCKPYMRPRNT-NWANDNLSSA-N
MW332.33 g/mol
LogP3.56
Rot. Bonds2

About N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 124620483) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID124620483
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC NameN-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1cccnc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)16-13(6-3-9-22-16)17(24)23-15-12-8-7-10-4-1-2-5-11(10)14(12)15/h1-6,9,12,14-15H,7-8H2,(H,23,24)/t12-,14+,15+/m0/s1
InChIKeyIVZMCKPYMRPRNT-NWANDNLSSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide
CID 122138076
3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
CID 154840149
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 123867173
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-methyl-3-oxopropanoic acid
CID 122065770
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
1-[(1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-3-(5-cyano-2-pyridinyl)urea
CID 21356030
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3-dihydroxybenzamide
CID 124625638
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 154840806
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
CID 115783797

Frequently Asked Questions

What is the IUPAC name of N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 124620483) is N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1cccnc1C(F)(F)F.
What is the InChIKey of N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IVZMCKPYMRPRNT-NWANDNLSSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)16-13(6-3-9-22-16)17(24)23-15-12-8-7-10-4-1-2-5-11(10)14(12)15/h1-6,9,12,14-15H,7-8H2,(H,23,24)/t12-,14+,15+/m0/s1.
What are the key properties of N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 124620483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).