4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

C19H14F2N4O2 — CID 109087685

IUPAC4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H14F2N4O2/c20-14-1-2-16(15(21)10-14)25-18(26)13-5-8-23-17(9-13)19(27)24-11-12-3-6-22-7-4-12/h1-10H,11H2,(H,24,27)(H,25,26)
InChIKeyVSSKXPNBQLSIHC-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.94
Rot. Bonds5

About 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087685) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087685
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H14F2N4O2/c20-14-1-2-16(15(21)10-14)25-18(26)13-5-8-23-17(9-13)19(27)24-11-12-3-6-22-7-4-12/h1-10H,11H2,(H,24,27)(H,25,26)
InChIKeyVSSKXPNBQLSIHC-UHFFFAOYSA-N
XLogP2.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087685) is 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is O=C(Nc1ccc(F)cc1F)c1ccnc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is VSSKXPNBQLSIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c20-14-1-2-16(15(21)10-14)25-18(26)13-5-8-23-17(9-13)19(27)24-11-12-3-6-22-7-4-12/h1-10H,11H2,(H,24,27)(H,25,26).
What are the key properties of 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 368.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).