5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C18H15FN4O — CID 109191278

IUPAC5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C18H15FN4O/c19-14-4-1-5-15(9-14)23-16-6-7-17(21-12-16)18(24)22-11-13-3-2-8-20-10-13/h1-10,12,23H,11H2,(H,22,24)
InChIKeyRFRKMFPLJYNTHM-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.29
Rot. Bonds5

About 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191278) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109191278
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C18H15FN4O/c19-14-4-1-5-15(9-14)23-16-6-7-17(21-12-16)18(24)22-11-13-3-2-8-20-10-13/h1-10,12,23H,11H2,(H,22,24)
InChIKeyRFRKMFPLJYNTHM-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283322
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
5-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191220
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109191278) is 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1ccc(Nc2cccc(F)c2)cn1.
What is the InChIKey of 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is RFRKMFPLJYNTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-14-4-1-5-15(9-14)23-16-6-7-17(21-12-16)18(24)22-11-13-3-2-8-20-10-13/h1-10,12,23H,11H2,(H,22,24).
What are the key properties of 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).