3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C23H19F3N4O3 — CID 44560588

IUPAC3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1
InChIInChI=1S/C23H19F3N4O3/c1-13-6-7-15(21(32)29-17-5-3-4-16(11-17)23(24,25)26)10-19(13)22(33)30-18-8-9-20(27-12-18)28-14(2)31/h3-12H,1-2H3,(H,29,32)(H,30,33)(H,27,28,31)
InChIKeyCRVJWQKUGJBXHH-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.87
Rot. Bonds5

About 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 44560588) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID44560588
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC Name3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1
InChIInChI=1S/C23H19F3N4O3/c1-13-6-7-15(21(32)29-17-5-3-4-16(11-17)23(24,25)26)10-19(13)22(33)30-18-8-9-20(27-12-18)28-14(2)31/h3-12H,1-2H3,(H,29,32)(H,30,33)(H,27,28,31)
InChIKeyCRVJWQKUGJBXHH-UHFFFAOYSA-N
XLogP4.87
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 44560588) is 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1.
What is the InChIKey of 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is CRVJWQKUGJBXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-13-6-7-15(21(32)29-17-5-3-4-16(11-17)23(24,25)26)10-19(13)22(33)30-18-8-9-20(27-12-18)28-14(2)31/h3-12H,1-2H3,(H,29,32)(H,30,33)(H,27,28,31).
What are the key properties of 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 456.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-acetamido-3-pyridinyl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 44560588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).