2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide

C13H22N4O — CID 80629627

IUPAC2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ncc(CNC)cc1C
InChIInChI=1S/C13H22N4O/c1-5-17(9-12(18)15-4)13-10(2)6-11(7-14-3)8-16-13/h6,8,14H,5,7,9H2,1-4H3,(H,15,18)
InChIKeyVUZXVJZMZDAGSU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.68
Rot. Bonds6

About 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide

2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide (PubChem CID 80629627) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide
PubChem CID80629627
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ncc(CNC)cc1C
InChIInChI=1S/C13H22N4O/c1-5-17(9-12(18)15-4)13-10(2)6-11(7-14-3)8-16-13/h6,8,14H,5,7,9H2,1-4H3,(H,15,18)
InChIKeyVUZXVJZMZDAGSU-UHFFFAOYSA-N
XLogP0.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]acetamide
CID 103103251
N-(cyclobutylmethyl)-N-ethyl-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 107399895
N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80635618
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
N,N-bis(cyclopropylmethyl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636371
2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808590
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 61359374
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 114034395
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
N'-ethyl-N'-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102995270
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 80635616

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide (CID 80629627) is 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide is CCN(CC(=O)NC)c1ncc(CNC)cc1C.
What is the InChIKey of 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide?
The InChIKey is VUZXVJZMZDAGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-17(9-12(18)15-4)13-10(2)6-11(7-14-3)8-16-13/h6,8,14H,5,7,9H2,1-4H3,(H,15,18).
What are the key properties of 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide?
2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]amino]-N-methylacetamide is sourced from PubChem (CID 80629627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).