N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide

C20H18ClN3O — CID 109156379

IUPACN-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C20H18ClN3O/c1-24(14-15-6-3-2-4-7-15)20(25)16-10-11-19(22-13-16)23-18-9-5-8-17(21)12-18/h2-13H,14H2,1H3,(H,22,23)
InChIKeyDCZDNFCEXPTHCJ-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.75
Rot. Bonds5

About N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide

N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109156379) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
PubChem CID109156379
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C20H18ClN3O/c1-24(14-15-6-3-2-4-7-15)20(25)16-10-11-19(22-13-16)23-18-9-5-8-17(21)12-18/h2-13H,14H2,1H3,(H,22,23)
InChIKeyDCZDNFCEXPTHCJ-UHFFFAOYSA-N
XLogP4.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
N-benzyl-6-[4-(diethylamino)anilino]-N-methylpyridine-3-carboxamide
CID 109156408
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide (CID 109156379) is N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is DCZDNFCEXPTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-24(14-15-6-3-2-4-7-15)20(25)16-10-11-19(22-13-16)23-18-9-5-8-17(21)12-18/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide?
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109156379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).