N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C18H15FN4O — CID 109213164

IUPACN-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2cccnc2)ccn1
InChIInChI=1S/C18H15FN4O/c19-14-3-5-15(6-4-14)23-18(24)17-10-16(7-9-21-17)22-12-13-2-1-8-20-11-13/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyCNHWFFCXJVTMAH-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.48
Rot. Bonds5

About N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213164) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213164
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCc2cccnc2)ccn1
InChIInChI=1S/C18H15FN4O/c19-14-3-5-15(6-4-14)23-18(24)17-10-16(7-9-21-17)22-12-13-2-1-8-20-11-13/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyCNHWFFCXJVTMAH-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-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307236
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213214
N-(3,4-difluorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211615
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
N-(3-chlorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211561
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109213164) is N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(NCc2cccnc2)ccn1.
What is the InChIKey of N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is CNHWFFCXJVTMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-14-3-5-15(6-4-14)23-18(24)17-10-16(7-9-21-17)22-12-13-2-1-8-20-11-13/h1-11H,12H2,(H,21,22)(H,23,24).
What are the key properties of N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-(4-fluorophenyl)-4-(pyridin-3-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)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).