N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C18H15FN4O — CID 109235741

IUPACN-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cncc(NCc2ccncc2)c1
InChIInChI=1S/C18H15FN4O/c19-15-2-1-3-16(9-15)23-18(24)14-8-17(12-21-11-14)22-10-13-4-6-20-7-5-13/h1-9,11-12,22H,10H2,(H,23,24)
InChIKeyQNQDOMCZWKEKNI-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.48
Rot. Bonds5

About N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235741) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235741
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cncc(NCc2ccncc2)c1
InChIInChI=1S/C18H15FN4O/c19-15-2-1-3-16(9-15)23-18(24)14-8-17(12-21-11-14)22-10-13-4-6-20-7-5-13/h1-9,11-12,22H,10H2,(H,23,24)
InChIKeyQNQDOMCZWKEKNI-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-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
N-(3-fluorophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235989
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
N-(2,6-difluorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233782
N-(3-fluorophenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236961
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109246109
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
N-(2,4-difluorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233767
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 109235741) is N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cccc(F)c1)c1cncc(NCc2ccncc2)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is QNQDOMCZWKEKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-15-2-1-3-16(9-15)23-18(24)14-8-17(12-21-11-14)22-10-13-4-6-20-7-5-13/h1-9,11-12,22H,10H2,(H,23,24).
What are the key properties of N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-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-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).