2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

C21H17F2N3O2 — CID 10293185

IUPAC2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccnc(C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C21H17F2N3O2/c22-17-5-1-3-14(9-17)12-25-20(27)16-7-8-24-19(11-16)21(28)26-13-15-4-2-6-18(23)10-15/h1-11H,12-13H2,(H,25,27)(H,26,28)
InChIKeyMHSCPNWMAYWLRJ-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.22
Rot. Bonds6

About 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide

2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 10293185) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID10293185
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC Name2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccnc(C(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C21H17F2N3O2/c22-17-5-1-3-14(9-17)12-25-20(27)16-7-8-24-19(11-16)21(28)26-13-15-4-2-6-18(23)10-15/h1-11H,12-13H2,(H,25,27)(H,26,28)
InChIKeyMHSCPNWMAYWLRJ-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

4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 10293185) is 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is O=C(NCc1cccc(F)c1)c1ccnc(C(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is MHSCPNWMAYWLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c22-17-5-1-3-14(9-17)12-25-20(27)16-7-8-24-19(11-16)21(28)26-13-15-4-2-6-18(23)10-15/h1-11H,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-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,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 10293185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).