N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C20H17F2N3O — CID 109156026

IUPACN-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2ccc(C(=O)Nc3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C20H17F2N3O/c1-13-2-4-14(5-3-13)11-23-19-9-6-15(12-24-19)20(26)25-16-7-8-17(21)18(22)10-16/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyURZNLYSXMPUFBT-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.53
Rot. Bonds5

About N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109156026) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109156026
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2ccc(C(=O)Nc3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C20H17F2N3O/c1-13-2-4-14(5-3-13)11-23-19-9-6-15(12-24-19)20(26)25-16-7-8-17(21)18(22)10-16/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyURZNLYSXMPUFBT-UHFFFAOYSA-N
XLogP4.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
N-(3,4-difluorophenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162873
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109156026) is N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccc(CNc2ccc(C(=O)Nc3ccc(F)c(F)c3)cn2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is URZNLYSXMPUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-13-2-4-14(5-3-13)11-23-19-9-6-15(12-24-19)20(26)25-16-7-8-17(21)18(22)10-16/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109156026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).