2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide

C18H12ClF4N5O2 — CID 118064134

IUPAC2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cnc(F)cc1OCC(F)(F)F)c1ccnc(Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C18H12ClF4N5O2/c19-11-1-2-15(26-7-11)28-16-5-10(3-4-24-16)17(29)27-12-8-25-14(20)6-13(12)30-9-18(21,22)23/h1-8H,9H2,(H,27,29)(H,24,26,28)
InChIKeyHWWRUYWNINJRAU-UHFFFAOYSA-N
MW441.77 g/mol
LogP4.60
Rot. Bonds6

About 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide

2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118064134) has the molecular formula C18H12ClF4N5O2 and a molecular weight of 441.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118064134
Molecular FormulaC18H12ClF4N5O2
Molecular Weight441.77 g/mol
Exact Mass441.06
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cnc(F)cc1OCC(F)(F)F)c1ccnc(Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C18H12ClF4N5O2/c19-11-1-2-15(26-7-11)28-16-5-10(3-4-24-16)17(29)27-12-8-25-14(20)6-13(12)30-9-18(21,22)23/h1-8H,9H2,(H,27,29)(H,24,26,28)
InChIKeyHWWRUYWNINJRAU-UHFFFAOYSA-N
XLogP4.60
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.77
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 131970322
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064272
2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556481
N-(5-chloro-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997957
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[6-chloro-4-(2-ethyl-4,5-dimethyl-1,3-dioxolan-2-yl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118065041
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56790133
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178911
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide (CID 118064134) is 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide is O=C(Nc1cnc(F)cc1OCC(F)(F)F)c1ccnc(Nc2ccc(Cl)cn2)c1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is HWWRUYWNINJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N5O2/c19-11-1-2-15(26-7-11)28-16-5-10(3-4-24-16)17(29)27-12-8-25-14(20)6-13(12)30-9-18(21,22)23/h1-8H,9H2,(H,27,29)(H,24,26,28).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 441.77 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118064134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).