6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide

C21H27N3O3 — CID 109099577

IUPAC6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H27N3O3/c1-5-6-14-24(4)21(26)19-9-7-8-18(23-19)20(25)22-16-10-12-17(13-11-16)27-15(2)3/h7-13,15H,5-6,14H2,1-4H3,(H,22,25)
InChIKeySHFMUFCSEYSKRG-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.99
Rot. Bonds8

About 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide

6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109099577) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID109099577
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C21H27N3O3/c1-5-6-14-24(4)21(26)19-9-7-8-18(23-19)20(25)22-16-10-12-17(13-11-16)27-15(2)3/h7-13,15H,5-6,14H2,1-4H3,(H,22,25)
InChIKeySHFMUFCSEYSKRG-UHFFFAOYSA-N
XLogP3.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099555
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
6-N-butyl-2-N-(2,6-dimethylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099543
6-N-butyl-6-N-methyl-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109099533
6-N-(3-fluorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109100999
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109097171
4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149950
6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099614
6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099568
2-N-[4-(dimethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099834

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide (CID 109099577) is 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is SHFMUFCSEYSKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-6-14-24(4)21(26)19-9-7-8-18(23-19)20(25)22-16-10-12-17(13-11-16)27-15(2)3/h7-13,15H,5-6,14H2,1-4H3,(H,22,25).
What are the key properties of 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide?
6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).