6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide

C12H17N3O2 — CID 161307485

IUPAC6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide
SMILESCc1ccc(C(N)=O)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C12H17N3O2/c1-7(2)6-14-12(17)10-9(11(13)16)5-4-8(3)15-10/h4-5,7H,6H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyOOIMZJLMVOUGDM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.87
Rot. Bonds4

About 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide

6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide (PubChem CID 161307485) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide.

Molecular Properties

Compound Name6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide
PubChem CID161307485
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide
SMILESCc1ccc(C(N)=O)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C12H17N3O2/c1-7(2)6-14-12(17)10-9(11(13)16)5-4-8(3)15-10/h4-5,7H,6H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyOOIMZJLMVOUGDM-UHFFFAOYSA-N
XLogP0.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(cyclopropylmethyl)-6-methylpyridine-2,3-dicarboxamide
CID 142018542
2-N-butyl-6-methylpyridine-2,3-dicarboxamide
CID 172855038
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
CID 115303139
2,6-dimethylpyridine-3-carboxamide
CID 2824850
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
6-methyl-2-[2-(propan-2-ylamino)ethoxy]pyridine-3-carboxamide
CID 62348157
N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114302798
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853
6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79158684

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide?
The IUPAC name of 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide (CID 161307485) is 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide.
What is the SMILES notation for 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide?
The canonical SMILES for 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide is Cc1ccc(C(N)=O)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide?
The InChIKey is OOIMZJLMVOUGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(2)6-14-12(17)10-9(11(13)16)5-4-8(3)15-10/h4-5,7H,6H2,1-3H3,(H2,13,16)(H,14,17).
What are the key properties of 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide?
6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(2-methylpropyl)pyridine-2,3-dicarboxamide is sourced from PubChem (CID 161307485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).