3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide

C16H28N4O — CID 81083766

IUPAC3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(CCN(C)C)Cc1cccnc1
InChIInChI=1S/C16H28N4O/c1-4-14(11-17)10-16(21)20(9-8-19(2)3)13-15-6-5-7-18-12-15/h5-7,12,14H,4,8-11,13,17H2,1-3H3
InChIKeyGEYWSKLZKQGUIT-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.35
Rot. Bonds9

About 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide

3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 81083766) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID81083766
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(CCN(C)C)Cc1cccnc1
InChIInChI=1S/C16H28N4O/c1-4-14(11-17)10-16(21)20(9-8-19(2)3)13-15-6-5-7-18-12-15/h5-7,12,14H,4,8-11,13,17H2,1-3H3
InChIKeyGEYWSKLZKQGUIT-UHFFFAOYSA-N
XLogP1.35
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
3-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62670710
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699
3-(aminomethyl)-N,N-dibenzylpentanamide
CID 130162934
3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
CID 64896517
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 81071444
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
CID 103154249
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide (CID 81083766) is 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide is CCC(CN)CC(=O)N(CCN(C)C)Cc1cccnc1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is GEYWSKLZKQGUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-14(11-17)10-16(21)20(9-8-19(2)3)13-15-6-5-7-18-12-15/h5-7,12,14H,4,8-11,13,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide?
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 292.43 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 81083766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).