6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C22H29N3O2 — CID 109099313

IUPAC6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C22H29N3O2/c1-5-6-15-24(4)21(26)19-13-10-14-20(23-19)22(27)25(17(2)3)16-18-11-8-7-9-12-18/h7-14,17H,5-6,15-16H2,1-4H3
InChIKeyOBGZDIXEWNADKK-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.00
Rot. Bonds8

About 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide

6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 109099313) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID109099313
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C22H29N3O2/c1-5-6-15-24(4)21(26)19-13-10-14-20(23-19)22(27)25(17(2)3)16-18-11-8-7-9-12-18/h7-14,17H,5-6,15-16H2,1-4H3
InChIKeyOBGZDIXEWNADKK-UHFFFAOYSA-N
XLogP4.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
6-N-benzyl-6-N-propan-2-yl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093496
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139811
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 109099313) is 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is OBGZDIXEWNADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-6-15-24(4)21(26)19-13-10-14-20(23-19)22(27)25(17(2)3)16-18-11-8-7-9-12-18/h7-14,17H,5-6,15-16H2,1-4H3.
What are the key properties of 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).