1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide

C20H14F3N3O2 — CID 109055054

IUPAC1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccn1)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H14F3N3O2/c21-15-7-8-16(18(23)17(15)22)26-20(28)13-5-3-4-12(10-13)19(27)25-11-14-6-1-2-9-24-14/h1-10H,11H2,(H,25,27)(H,26,28)
InChIKeySDDNJOSVAINIPG-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.68
Rot. Bonds5

About 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide

1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109055054) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109055054
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccccn1)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H14F3N3O2/c21-15-7-8-16(18(23)17(15)22)26-20(28)13-5-3-4-12(10-13)19(27)25-11-14-6-1-2-9-24-14/h1-10H,11H2,(H,25,27)(H,26,28)
InChIKeySDDNJOSVAINIPG-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109087202
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109105080
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109056346
4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
CID 18315403

Frequently Asked Questions

What is the IUPAC name of 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide (CID 109055054) is 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide is O=C(NCc1ccccn1)c1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is SDDNJOSVAINIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-15-7-8-16(18(23)17(15)22)26-20(28)13-5-3-4-12(10-13)19(27)25-11-14-6-1-2-9-24-14/h1-10H,11H2,(H,25,27)(H,26,28).
What are the key properties of 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 385.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).