tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate

C16H24N2O3 — CID 71853166

IUPACtert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate
SMILESCc1ccc(C(=O)N(C)CCC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C16H24N2O3/c1-11-7-8-13(12(2)17-11)15(20)18(6)10-9-14(19)21-16(3,4)5/h7-8H,9-10H2,1-6H3
InChIKeyOGKCZINHPFSLRU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate

tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate (PubChem CID 71853166) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate
PubChem CID71853166
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate
SMILESCc1ccc(C(=O)N(C)CCC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C16H24N2O3/c1-11-7-8-13(12(2)17-11)15(20)18(6)10-9-14(19)21-16(3,4)5/h7-8H,9-10H2,1-6H3
InChIKeyOGKCZINHPFSLRU-UHFFFAOYSA-N
XLogP2.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Methyl-6-(trifluoromethyl)pyridin-3-yl](piperidino)methanone
CID 2796058
6-isopropyl-2-(phenylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54585488
2,6-Dimethylpyridine-3-carboxamide
CID 2824850
2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2795952
[2-Methyl-6-(trifluoromethyl)-3-pyridinyl]-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2810208
(4-Methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 46044797
2-[1-(4-Fluorobenzoyl)-4-piperidyl]-N-isopropyl-N,6-dimethylnicotinamide
CID 46069076
2-[1-(2,6-Difluorobenzoyl)piperidin-4-YL]-N,6-dimethyl-N-(propan-2-YL)pyridine-3-carboxamide
CID 46069077
3-Methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 46948426
Ethyl 1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]azepane-4-carboxylate
CID 49789630
3-Methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 49790692

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate?
The IUPAC name of tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate (CID 71853166) is tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate.
What is the SMILES notation for tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate?
The canonical SMILES for tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate is Cc1ccc(C(=O)N(C)CCC(=O)OC(C)(C)C)c(C)n1.
What is the InChIKey of tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate?
The InChIKey is OGKCZINHPFSLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-7-8-13(12(2)17-11)15(20)18(6)10-9-14(19)21-16(3,4)5/h7-8H,9-10H2,1-6H3.
What are the key properties of tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate?
tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate has a molecular weight of 292.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2,6-dimethylpyridine-3-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 71853166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).