6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide

C19H22ClN3O3 — CID 109099568

IUPAC6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C19H22ClN3O3/c1-4-5-11-23(2)19(25)15-8-6-7-14(21-15)18(24)22-16-12-13(20)9-10-17(16)26-3/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)
InChIKeyYBWDVYWDASGLRP-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.87
Rot. Bonds7

About 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide

6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide (PubChem CID 109099568) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
PubChem CID109099568
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C19H22ClN3O3/c1-4-5-11-23(2)19(25)15-8-6-7-14(21-15)18(24)22-16-12-13(20)9-10-17(16)26-3/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)
InChIKeyYBWDVYWDASGLRP-UHFFFAOYSA-N
XLogP3.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
6-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096371
6-N-(5-chloro-2-methoxyphenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095751
6-N-(5-chloro-2-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099986
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
6-N-butyl-6-N-methyl-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109099533
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109312912
6-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099375
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
6-N-butyl-2-N-(2,6-dimethylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099543
3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056400
N-(5-chloro-2-methoxyphenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126166

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide (CID 109099568) is 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The InChIKey is YBWDVYWDASGLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-4-5-11-23(2)19(25)15-8-6-7-14(21-15)18(24)22-16-12-13(20)9-10-17(16)26-3/h6-10,12H,4-5,11H2,1-3H3,(H,22,24).
What are the key properties of 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide?
6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).