2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C19H14F3N3O — CID 23114730

IUPAC2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(F)cnc1Cc1cc(F)ccc1F
InChIInChI=1S/C19H14F3N3O/c20-13-4-5-17(22)12(7-13)8-18-16(9-14(21)10-24-18)19(26)25-11-15-3-1-2-6-23-15/h1-7,9-10H,8,11H2,(H,25,26)
InChIKeyKVMPMAVFMUMHSI-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.41
Rot. Bonds5

About 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 23114730) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID23114730
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(F)cnc1Cc1cc(F)ccc1F
InChIInChI=1S/C19H14F3N3O/c20-13-4-5-17(22)12(7-13)8-18-16(9-14(21)10-24-18)19(26)25-11-15-3-1-2-6-23-15/h1-7,9-10H,8,11H2,(H,25,26)
InChIKeyKVMPMAVFMUMHSI-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
2-(2,5-difluorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 94285001
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021
2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
CID 23987423
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 23114730) is 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccccn1)c1cc(F)cnc1Cc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KVMPMAVFMUMHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-13-4-5-17(22)12(7-13)8-18-16(9-14(21)10-24-18)19(26)25-11-15-3-1-2-6-23-15/h1-7,9-10H,8,11H2,(H,25,26).
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-5-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23114730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).