N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide

C18H13ClF3N3O2 — CID 109155350

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NCc2ccco2)nc1
InChIInChI=1S/C18H13ClF3N3O2/c19-14-5-4-12(18(20,21)22)8-15(14)25-17(26)11-3-6-16(23-9-11)24-10-13-2-1-7-27-13/h1-9H,10H2,(H,23,24)(H,25,26)
InChIKeyWDVGAJYIMQJKRI-UHFFFAOYSA-N
MW395.77 g/mol
LogP5.21
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109155350) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109155350
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NCc2ccco2)nc1
InChIInChI=1S/C18H13ClF3N3O2/c19-14-5-4-12(18(20,21)22)8-15(14)25-17(26)11-3-6-16(23-9-11)24-10-13-2-1-7-27-13/h1-9H,10H2,(H,23,24)(H,25,26)
InChIKeyWDVGAJYIMQJKRI-UHFFFAOYSA-N
XLogP5.21
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.77
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[[6-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155349
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209570
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155464
6-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155336
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109155556
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
6-(furan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109346240
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279581
5-N-(2,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104953
3,4-difluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113026285
N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109152093
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346273

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide (CID 109155350) is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NCc2ccco2)nc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is WDVGAJYIMQJKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c19-14-5-4-12(18(20,21)22)8-15(14)25-17(26)11-3-6-16(23-9-11)24-10-13-2-1-7-27-13/h1-9H,10H2,(H,23,24)(H,25,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 395.77 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(furan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109155350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).