N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C18H15FN4O — CID 109191663

IUPACN-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C18H15FN4O/c19-14-1-3-15(4-2-14)23-18(24)17-6-5-16(12-22-17)21-11-13-7-9-20-10-8-13/h1-10,12,21H,11H2,(H,23,24)
InChIKeyTWRBXXFIPGTWGL-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.48
Rot. Bonds5

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

N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191663) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191663
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C18H15FN4O/c19-14-1-3-15(4-2-14)23-18(24)17-6-5-16(12-22-17)21-11-13-7-9-20-10-8-13/h1-10,12,21H,11H2,(H,23,24)
InChIKeyTWRBXXFIPGTWGL-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522
N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283719
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109191663) is N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(NCc2ccncc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is TWRBXXFIPGTWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-14-1-3-15(4-2-14)23-18(24)17-6-5-16(12-22-17)21-11-13-7-9-20-10-8-13/h1-10,12,21H,11H2,(H,23,24).
What are the key properties of N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).