2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide

C21H17Cl2N3O2 — CID 167909819

IUPAC2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(Cl)ncc3Cl)c2)cc1
InChIInChI=1S/C21H17Cl2N3O2/c1-13-5-7-15(8-6-13)20(27)26-16-4-2-3-14(9-16)11-25-21(28)17-10-19(23)24-12-18(17)22/h2-10,12H,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyWVNKJASOPVKQIO-UHFFFAOYSA-N
MW414.29 g/mol
LogP4.88
Rot. Bonds5

About 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide

2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 167909819) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide
PubChem CID167909819
Molecular FormulaC21H17Cl2N3O2
Molecular Weight414.29 g/mol
Exact Mass413.07
IUPAC Name2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(Cl)ncc3Cl)c2)cc1
InChIInChI=1S/C21H17Cl2N3O2/c1-13-5-7-15(8-6-13)20(27)26-16-4-2-3-14(9-16)11-25-21(28)17-10-19(23)24-12-18(17)22/h2-10,12H,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyWVNKJASOPVKQIO-UHFFFAOYSA-N
XLogP4.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
CID 114917751
2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 71907122
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
5-chloro-3-methyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 60535824
N-[3-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-methylbenzamide
CID 55898897
2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55893391
2,5-dichloro-N-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917538
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide (CID 167909819) is 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide is Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(Cl)ncc3Cl)c2)cc1.
What is the InChIKey of 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is WVNKJASOPVKQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c1-13-5-7-15(8-6-13)20(27)26-16-4-2-3-14(9-16)11-25-21(28)17-10-19(23)24-12-18(17)22/h2-10,12H,11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide?
2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 414.29 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 167909819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).