6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C23H22FN3O2 — CID 109099326

IUPAC6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C23H22FN3O2/c1-16(2)27(15-17-8-4-3-5-9-17)23(29)21-13-7-12-20(26-21)22(28)25-19-11-6-10-18(24)14-19/h3-14,16H,15H2,1-2H3,(H,25,28)
InChIKeyBCZUKSBWXOOJMT-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.52
Rot. Bonds6

About 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide

6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 109099326) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID109099326
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C23H22FN3O2/c1-16(2)27(15-17-8-4-3-5-9-17)23(29)21-13-7-12-20(26-21)22(28)25-19-11-6-10-18(24)14-19/h3-14,16H,15H2,1-2H3,(H,25,28)
InChIKeyBCZUKSBWXOOJMT-UHFFFAOYSA-N
XLogP4.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-benzyl-6-N-propan-2-yl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093496
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871
6-N-(3-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095785
6-N-(3-fluorophenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097396
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142
6-N-(3-fluorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109100999
6-N-benzyl-6-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097681
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
6-N-(2-ethylphenyl)-2-N-(3-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100559
N-benzyl-6-(3-chloroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112846465
2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109086315

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 109099326) is 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is BCZUKSBWXOOJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-16(2)27(15-17-8-4-3-5-9-17)23(29)21-13-7-12-20(26-21)22(28)25-19-11-6-10-18(24)14-19/h3-14,16H,15H2,1-2H3,(H,25,28).
What are the key properties of 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).