trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide

C13H10ClF3N4O — CID 139468983

IUPACtrans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESNc1nc(Cl)cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc12
InChIInChI=1S/C13H10ClF3N4O/c14-9-1-5-2-10(19-4-7(5)11(18)20-9)21-12(22)6-3-8(6)13(15,16)17/h1-2,4,6,8H,3H2,(H2,18,20)(H,19,21,22)/t6-,8-/m0/s1
InChIKeyJUDWEUBEOGCXMS-XPUUQOCRSA-N
MW330.70 g/mol
LogP3.00
Rot. Bonds2

About trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 139468983) has the molecular formula C13H10ClF3N4O and a molecular weight of 330.70 g/mol. Its IUPAC name is trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID139468983
Molecular FormulaC13H10ClF3N4O
Molecular Weight330.70 g/mol
Exact Mass330.05
IUPAC Nametrans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESNc1nc(Cl)cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc12
InChIInChI=1S/C13H10ClF3N4O/c14-9-1-5-2-10(19-4-7(5)11(18)20-9)21-12(22)6-3-8(6)13(15,16)17/h1-2,4,6,8H,3H2,(H2,18,20)(H,19,21,22)/t6-,8-/m0/s1
InChIKeyJUDWEUBEOGCXMS-XPUUQOCRSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 139468983) is trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide is Nc1nc(Cl)cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc12.
What is the InChIKey of trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is JUDWEUBEOGCXMS-XPUUQOCRSA-N. The full InChI is InChI=1S/C13H10ClF3N4O/c14-9-1-5-2-10(19-4-7(5)11(18)20-9)21-12(22)6-3-8(6)13(15,16)17/h1-2,4,6,8H,3H2,(H2,18,20)(H,19,21,22)/t6-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 330.70 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139468983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).