N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide

C13H22N4O — CID 62465375

IUPACN-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
SMILESCCCN(CC(=O)NC)Cc1cccnc1NC
InChIInChI=1S/C13H22N4O/c1-4-8-17(10-12(18)14-2)9-11-6-5-7-16-13(11)15-3/h5-7H,4,8-10H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyUQSNAUMMLQLCTH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.08
Rot. Bonds7

About N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide

N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide (PubChem CID 62465375) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
PubChem CID62465375
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
SMILESCCCN(CC(=O)NC)Cc1cccnc1NC
InChIInChI=1S/C13H22N4O/c1-4-8-17(10-12(18)14-2)9-11-6-5-7-16-13(11)15-3/h5-7H,4,8-10H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyUQSNAUMMLQLCTH-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

3-[[cyclopropylmethyl(propyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471758
2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
CID 62470888
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
CID 102996891
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
N-methyl-3-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 62470249
2-[(3-bromo-2-hydroxyphenyl)methyl-propylamino]-N-methylacetamide
CID 82986387
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62471942
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
CID 63956312

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide?
The IUPAC name of N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide (CID 62465375) is N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide?
The canonical SMILES for N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide is CCCN(CC(=O)NC)Cc1cccnc1NC.
What is the InChIKey of N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide?
The InChIKey is UQSNAUMMLQLCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-8-17(10-12(18)14-2)9-11-6-5-7-16-13(11)15-3/h5-7H,4,8-10H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide?
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide 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 N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide is sourced from PubChem (CID 62465375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).