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

C18H14F2N4O — CID 109191145

IUPACN-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C18H14F2N4O/c19-12-4-6-16(15(20)9-12)24-18(25)17-7-5-14(11-23-17)22-10-13-3-1-2-8-21-13/h1-9,11,22H,10H2,(H,24,25)
InChIKeySOFXSSPYEJMUIF-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.62
Rot. Bonds5

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

N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191145) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191145
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC NameN-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C18H14F2N4O/c19-12-4-6-16(15(20)9-12)24-18(25)17-7-5-14(11-23-17)22-10-13-3-1-2-8-21-13/h1-9,11,22H,10H2,(H,24,25)
InChIKeySOFXSSPYEJMUIF-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

2,4-difluoro-N-[4-(pyridin-2-ylmethylamino)phenyl]benzamide
CID 51107830
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
5-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109191143
N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191121
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
5-[2-(4-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109193713
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021
5-(2,4-difluoroanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199705
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109191145) is N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(NCc2ccccn2)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is SOFXSSPYEJMUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-12-4-6-16(15(20)9-12)24-18(25)17-7-5-14(11-23-17)22-10-13-3-1-2-8-21-13/h1-9,11,22H,10H2,(H,24,25).
What are the key properties of N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-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-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).