2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide

C23H22FN3O2 — CID 109086448

IUPAC2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C23H22FN3O2/c1-15(2)18-8-4-6-10-20(18)27-22(28)16-11-12-25-21(13-16)23(29)26-14-17-7-3-5-9-19(17)24/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyDEXBYOCZGVAOGD-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.53
Rot. Bonds6

About 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide

2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109086448) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109086448
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C23H22FN3O2/c1-15(2)18-8-4-6-10-20(18)27-22(28)16-11-12-25-21(13-16)23(29)26-14-17-7-3-5-9-19(17)24/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyDEXBYOCZGVAOGD-UHFFFAOYSA-N
XLogP4.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086463
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
4-N-[(2-fluorophenyl)methyl]-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086373
2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086006
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257062
2-N-[(2-fluorophenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086433
2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (CID 109086448) is 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is CC(C)c1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is DEXBYOCZGVAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15(2)18-8-4-6-10-20(18)27-22(28)16-11-12-25-21(13-16)23(29)26-14-17-7-3-5-9-19(17)24/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).