2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide

C13H22N4O — CID 62470888

IUPAC2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cccnc1NC
InChIInChI=1S/C13H22N4O/c1-4-7-15-12(18)10-17(3)9-11-6-5-8-16-13(11)14-2/h5-6,8H,4,7,9-10H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyDIPZSNUMYUCJMC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.08
Rot. Bonds7

About 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide

2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide (PubChem CID 62470888) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
PubChem CID62470888
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cccnc1NC
InChIInChI=1S/C13H22N4O/c1-4-7-15-12(18)10-17(3)9-11-6-5-8-16-13(11)14-2/h5-6,8H,4,7,9-10H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyDIPZSNUMYUCJMC-UHFFFAOYSA-N
XLogP1.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
CID 62465375
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
CID 104824482
N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 78791395
2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 63886350
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 79242742
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
4-fluoro-3-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoic acid
CID 107452224

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide (CID 62470888) is 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1cccnc1NC.
What is the InChIKey of 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide?
The InChIKey is DIPZSNUMYUCJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-7-15-12(18)10-17(3)9-11-6-5-8-16-13(11)14-2/h5-6,8H,4,7,9-10H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide?
2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide has a molecular weight of 250.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide is sourced from PubChem (CID 62470888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).