5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide

C19H22ClN3O2 — CID 109105659

IUPAC5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-4-9-23(2)19(25)16-10-15(11-21-12-16)18(24)22-13-14-7-5-6-8-17(14)20/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,22,24)
InChIKeyZBPQHPMHSGOYJN-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.54
Rot. Bonds7

About 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide

5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide (PubChem CID 109105659) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
PubChem CID109105659
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-3-4-9-23(2)19(25)16-10-15(11-21-12-16)18(24)22-13-14-7-5-6-8-17(14)20/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,22,24)
InChIKeyZBPQHPMHSGOYJN-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
5-N-butyl-3-N-(2,3-dichlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107398
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109233790
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223386
3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide
CID 109064739
N-butyl-N'-[(2-chlorophenyl)methyl]-N,2,2-trimethylpropanediamide
CID 108962687
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109233806

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide (CID 109105659) is 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cncc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide?
The InChIKey is ZBPQHPMHSGOYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-4-9-23(2)19(25)16-10-15(11-21-12-16)18(24)22-13-14-7-5-6-8-17(14)20/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,22,24).
What are the key properties of 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide?
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).