5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C18H14F2N4O — CID 109191021

IUPAC5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H14F2N4O/c19-15-6-4-12(9-16(15)20)24-14-5-7-17(22-11-14)18(25)23-10-13-3-1-2-8-21-13/h1-9,11,24H,10H2,(H,23,25)
InChIKeyGLJTWIKLKWRXJY-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.43
Rot. Bonds5

About 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191021) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109191021
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H14F2N4O/c19-15-6-4-12(9-16(15)20)24-14-5-7-17(22-11-14)18(25)23-10-13-3-1-2-8-21-13/h1-9,11,24H,10H2,(H,23,25)
InChIKeyGLJTWIKLKWRXJY-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dichloroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191005
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941
N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109191002
5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191145

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109191021) is 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccccn1)c1ccc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is GLJTWIKLKWRXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-15-6-4-12(9-16(15)20)24-14-5-7-17(22-11-14)18(25)23-10-13-3-1-2-8-21-13/h1-9,11,24H,10H2,(H,23,25).
What are the key properties of 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).