4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

C16H25N3O2 — CID 109079822

IUPAC4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)NCC(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-6-9-19(4)16(21)13-7-8-17-14(10-13)15(20)18-11-12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20)
InChIKeyGQDAVBFUAOJRHE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.34
Rot. Bonds7

About 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079822) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079822
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)NCC(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-6-9-19(4)16(21)13-7-8-17-14(10-13)15(20)18-11-12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20)
InChIKeyGQDAVBFUAOJRHE-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085618
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
4-N-(2-methylpropyl)-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109079626

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (CID 109079822) is 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1ccnc(C(=O)NCC(C)C)c1.
What is the InChIKey of 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is GQDAVBFUAOJRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-6-9-19(4)16(21)13-7-8-17-14(10-13)15(20)18-11-12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,18,20).
What are the key properties of 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).