2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

C23H21F2N3O3 — CID 71907122

IUPAC2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccnc3OCC(F)F)c2)cc1
InChIInChI=1S/C23H21F2N3O3/c1-15-7-9-17(10-8-15)21(29)28-18-5-2-4-16(12-18)13-27-22(30)19-6-3-11-26-23(19)31-14-20(24)25/h2-12,20H,13-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyLCWDCIUINBEKMC-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.22
Rot. Bonds8

About 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 71907122) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID71907122
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccnc3OCC(F)F)c2)cc1
InChIInChI=1S/C23H21F2N3O3/c1-15-7-9-17(10-8-15)21(29)28-18-5-2-4-16(12-18)13-27-22(30)19-6-3-11-26-23(19)31-14-20(24)25/h2-12,20H,13-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyLCWDCIUINBEKMC-UHFFFAOYSA-N
XLogP4.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide
CID 167909819
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
CID 154779558
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 56825715
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 24655217
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 71907122) is 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccnc3OCC(F)F)c2)cc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is LCWDCIUINBEKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-15-7-9-17(10-8-15)21(29)28-18-5-2-4-16(12-18)13-27-22(30)19-6-3-11-26-23(19)31-14-20(24)25/h2-12,20H,13-14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71907122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).