6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide

C22H29N3O2 — CID 109099555

IUPAC6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C22H29N3O2/c1-6-7-15-25(5)21(27)19-10-8-9-18(24-19)20(26)23-17-13-11-16(12-14-17)22(2,3)4/h8-14H,6-7,15H2,1-5H3,(H,23,26)
InChIKeyZPGZVRQKQFVKNO-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.50
Rot. Bonds6

About 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide

6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide (PubChem CID 109099555) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
PubChem CID109099555
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C22H29N3O2/c1-6-7-15-25(5)21(27)19-10-8-9-18(24-19)20(26)23-17-13-11-16(12-14-17)22(2,3)4/h8-14H,6-7,15H2,1-5H3,(H,23,26)
InChIKeyZPGZVRQKQFVKNO-UHFFFAOYSA-N
XLogP4.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-butyl-6-N-methyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099577
2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
6-N-butyl-2-N-(2,6-dimethylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099543
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
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099614
2-N-[4-(dimethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099834
6-amino-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 62239244
N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239245

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide (CID 109099555) is 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide?
The InChIKey is ZPGZVRQKQFVKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-7-15-25(5)21(27)19-10-8-9-18(24-19)20(26)23-17-13-11-16(12-14-17)22(2,3)4/h8-14H,6-7,15H2,1-5H3,(H,23,26).
What are the key properties of 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide?
6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-2-N-(4-tert-butylphenyl)-6-N-methylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).