3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide

C13H21N3O — CID 81070672

IUPAC3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-11(9-14)8-13(17)16(2)10-12-4-6-15-7-5-12/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyXWCYDSPTMKZNCK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide

3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide (PubChem CID 81070672) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
PubChem CID81070672
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-11(9-14)8-13(17)16(2)10-12-4-6-15-7-5-12/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyXWCYDSPTMKZNCK-UHFFFAOYSA-N
XLogP1.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 115181125
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 81070299
3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842
3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 81070909
3-(aminomethyl)-N,N-dibenzylpentanamide
CID 130162934
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 81087736
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 79473191
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide (CID 81070672) is 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide is CCC(CN)CC(=O)N(C)Cc1ccncc1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The InChIKey is XWCYDSPTMKZNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11(9-14)8-13(17)16(2)10-12-4-6-15-7-5-12/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide?
3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide is sourced from PubChem (CID 81070672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).