5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C23H21FN4O3 — CID 86890345

IUPAC5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C23H21FN4O3/c1-14-19(10-11-20(25-14)23(31)28(2)3)22(30)27-17-8-4-6-15(12-17)21(29)26-18-9-5-7-16(24)13-18/h4-13H,1-3H3,(H,26,29)(H,27,30)
InChIKeyAADIZPACWNMJPP-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.74
Rot. Bonds5

About 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86890345) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86890345
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C23H21FN4O3/c1-14-19(10-11-20(25-14)23(31)28(2)3)22(30)27-17-8-4-6-15(12-17)21(29)26-18-9-5-7-16(24)13-18/h4-13H,1-3H3,(H,26,29)(H,27,30)
InChIKeyAADIZPACWNMJPP-UHFFFAOYSA-N
XLogP3.74
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890270
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
2-methyl-6-(trifluoromethyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 31883802
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86892702
6-chloro-N-[3-(dimethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 61041368
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607
3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86890345) is 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is AADIZPACWNMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-14-19(10-11-20(25-14)23(31)28(2)3)22(30)27-17-8-4-6-15(12-17)21(29)26-18-9-5-7-16(24)13-18/h4-13H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86890345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).