2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide

C21H17F2N3O2 — CID 20929906

IUPAC2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C21H17F2N3O2/c22-16-6-1-4-14(10-16)12-24-20(27)18-8-3-9-19(26-18)21(28)25-13-15-5-2-7-17(23)11-15/h1-11H,12-13H2,(H,24,27)(H,25,28)
InChIKeyTYSMCNKKXLMEDH-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.22
Rot. Bonds6

About 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide (PubChem CID 20929906) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
PubChem CID20929906
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C21H17F2N3O2/c22-16-6-1-4-14(10-16)12-24-20(27)18-8-3-9-19(26-18)21(28)25-13-15-5-2-7-17(23)11-15/h1-11H,12-13H2,(H,24,27)(H,25,28)
InChIKeyTYSMCNKKXLMEDH-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
6-N-(2,4-difluorophenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097480
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide
CID 123600878
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide (CID 20929906) is 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide is O=C(NCc1cccc(F)c1)c1cccc(C(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide?
The InChIKey is TYSMCNKKXLMEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c22-16-6-1-4-14(10-16)12-24-20(27)18-8-3-9-19(26-18)21(28)25-13-15-5-2-7-17(23)11-15/h1-11H,12-13H2,(H,24,27)(H,25,28).
What are the key properties of 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 20929906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).