2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide

C13H21N3O — CID 119059769

IUPAC2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
SMILESCc1cc(C)c(CNC(=O)C(C)N(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-9-6-10(2)14-7-12(9)8-15-13(17)11(3)16(4)5/h6-7,11H,8H2,1-5H3,(H,15,17)
InChIKeyKODSVAUQURYHFH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.26
Rot. Bonds4

About 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide

2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide (PubChem CID 119059769) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
PubChem CID119059769
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
SMILESCc1cc(C)c(CNC(=O)C(C)N(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-9-6-10(2)14-7-12(9)8-15-13(17)11(3)16(4)5/h6-7,11H,8H2,1-5H3,(H,15,17)
InChIKeyKODSVAUQURYHFH-UHFFFAOYSA-N
XLogP1.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 91842420
3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide
CID 130944215
2-(4,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 142686541
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid
CID 154909396
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70781233
(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 126448649
5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
CID 155822261
5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide
CID 155977820
2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide
CID 119062916
N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 130870041
2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
2-(4,6-dimethyl-3-pyridinyl)-N-(2-hydroxyphenyl)acetamide
CID 142686542

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide (CID 119059769) is 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide is Cc1cc(C)c(CNC(=O)C(C)N(C)C)cn1.
What is the InChIKey of 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide?
The InChIKey is KODSVAUQURYHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-6-10(2)14-7-12(9)8-15-13(17)11(3)16(4)5/h6-7,11H,8H2,1-5H3,(H,15,17).
What are the key properties of 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide?
2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 119059769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).