N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

C18H14F2N4O — CID 109235200

IUPACN-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cncc(NCc2ccccn2)c1
InChIInChI=1S/C18H14F2N4O/c19-16-5-4-13(8-17(16)20)24-18(25)12-7-15(10-21-9-12)23-11-14-3-1-2-6-22-14/h1-10,23H,11H2,(H,24,25)
InChIKeyZPTDFGRLRJUXDV-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.62
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235200) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235200
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC NameN-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cncc(NCc2ccccn2)c1
InChIInChI=1S/C18H14F2N4O/c19-16-5-4-13(8-17(16)20)24-18(25)12-7-15(10-21-9-12)23-11-14-3-1-2-6-22-14/h1-10,23H,11H2,(H,24,25)
InChIKeyZPTDFGRLRJUXDV-UHFFFAOYSA-N
XLogP3.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235142
N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235186
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675
N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231628
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109237881
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235192
N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109232494
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070
5-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109246460
methyl 4-chloro-3-[[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109235161

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (CID 109235200) is N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cncc(NCc2ccccn2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is ZPTDFGRLRJUXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-16-5-4-13(8-17(16)20)24-18(25)12-7-15(10-21-9-12)23-11-14-3-1-2-6-22-14/h1-10,23H,11H2,(H,24,25).
What are the key properties of N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).