2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide

C23H22FN3O2 — CID 109092550

IUPAC2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccnc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C23H22FN3O2/c1-14(2)19-9-4-6-15(3)21(19)27-22(28)16-10-11-25-20(12-16)23(29)26-18-8-5-7-17(24)13-18/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKeyJGIUUWLJRMXVEU-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.16
Rot. Bonds5

About 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide

2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092550) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109092550
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccnc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C23H22FN3O2/c1-14(2)19-9-4-6-15(3)21(19)27-22(28)16-10-11-25-20(12-16)23(29)26-18-8-5-7-17(24)13-18/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKeyJGIUUWLJRMXVEU-UHFFFAOYSA-N
XLogP5.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-fluorophenyl)-4-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092508
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177154
4-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109207358
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (CID 109092550) is 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)c1ccnc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is JGIUUWLJRMXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-14(2)19-9-4-6-15(3)21(19)27-22(28)16-10-11-25-20(12-16)23(29)26-18-8-5-7-17(24)13-18/h4-14H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).