4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide

C19H13F3N4O2 — CID 109087202

IUPAC4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H13F3N4O2/c20-13-4-5-14(17(22)16(13)21)26-19(28)15-9-11(6-8-24-15)18(27)25-10-12-3-1-2-7-23-12/h1-9H,10H2,(H,25,27)(H,26,28)
InChIKeySYDBMUUPBFEOJW-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.08
Rot. Bonds5

About 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide

4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109087202) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109087202
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H13F3N4O2/c20-13-4-5-14(17(22)16(13)21)26-19(28)15-9-11(6-8-24-15)18(27)25-10-12-3-1-2-7-23-12/h1-9H,10H2,(H,25,27)(H,26,28)
InChIKeySYDBMUUPBFEOJW-UHFFFAOYSA-N
XLogP3.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
4-N-[(2-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109085587
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198
4-N-(2,6-difluorophenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087302
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109093370
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087205
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109086163
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700

Frequently Asked Questions

What is the IUPAC name of 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide (CID 109087202) is 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide is O=C(NCc1ccccn1)c1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is SYDBMUUPBFEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c20-13-4-5-14(17(22)16(13)21)26-19(28)15-9-11(6-8-24-15)18(27)25-10-12-3-1-2-7-23-12/h1-9H,10H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide?
4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 386.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).