cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide

C19H13F4N3O2 — CID 71115267

IUPACcis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cnc(-c3ccccc3OC(F)(F)F)cc2cn1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H13F4N3O2/c20-14-7-13(14)18(27)26-17-6-11-8-24-15(5-10(11)9-25-17)12-3-1-2-4-16(12)28-19(21,22)23/h1-6,8-9,13-14H,7H2,(H,25,26,27)/t13-,14+/m1/s1
InChIKeyNNUPAWMLUQFZGQ-KGLIPLIRSA-N
MW391.32 g/mol
LogP4.49
Rot. Bonds4

About cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 71115267) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID71115267
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC Namecis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cnc(-c3ccccc3OC(F)(F)F)cc2cn1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H13F4N3O2/c20-14-7-13(14)18(27)26-17-6-11-8-24-15(5-10(11)9-25-17)12-3-1-2-4-16(12)28-19(21,22)23/h1-6,8-9,13-14H,7H2,(H,25,26,27)/t13-,14+/m1/s1
InChIKeyNNUPAWMLUQFZGQ-KGLIPLIRSA-N
XLogP4.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide
CID 5329002
5-(3-Aminopropylamino)-7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine
CID 10309119
4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
CID 71454858
1-[4-(2,6-Difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea
CID 150436720
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylacetamide
CID 59509028
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
N-(7-(5-methoxy-2-methylphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 68095312
N-[7-(5-fluoro-2-methylphenyl)-5-piperidin-4-yloxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115073
N-[7-(5-fluoro-2-propan-2-yloxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115409
N-[7-(5-fluoro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115844
N-(pyridin-2-yl)-9H-xanthene-9-carboxamide
CID 775428
2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]propyl]-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 117949499

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 71115267) is cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide is O=C(Nc1cc2cnc(-c3ccccc3OC(F)(F)F)cc2cn1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is NNUPAWMLUQFZGQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-14-7-13(14)18(27)26-17-6-11-8-24-15(5-10(11)9-25-17)12-3-1-2-4-16(12)28-19(21,22)23/h1-6,8-9,13-14H,7H2,(H,25,26,27)/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 391.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[7-[2-(trifluoromethoxy)phenyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71115267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).