5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

C20H17FN4O2 — CID 109105507

IUPAC5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccncc1)c1cncc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C20H17FN4O2/c21-18-4-2-1-3-15(18)13-25-20(27)17-9-16(11-23-12-17)19(26)24-10-14-5-7-22-8-6-14/h1-9,11-12H,10,13H2,(H,24,26)(H,25,27)
InChIKeyTTWNLOPIZLNSDO-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.48
Rot. Bonds6

About 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109105507) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109105507
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCc1ccncc1)c1cncc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C20H17FN4O2/c21-18-4-2-1-3-15(18)13-25-20(27)17-9-16(11-23-12-17)19(26)24-10-14-5-7-22-8-6-14/h1-9,11-12H,10,13H2,(H,24,26)(H,25,27)
InChIKeyTTWNLOPIZLNSDO-UHFFFAOYSA-N
XLogP2.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
3-N-[(2-fluorophenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105337
5-N-(2,4-difluorophenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106175
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide (CID 109105507) is 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide is O=C(NCc1ccncc1)c1cncc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is TTWNLOPIZLNSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-18-4-2-1-3-15(18)13-25-20(27)17-9-16(11-23-12-17)19(26)24-10-14-5-7-22-8-6-14/h1-9,11-12H,10,13H2,(H,24,26)(H,25,27).
What are the key properties of 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 364.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).