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

C13H21N3O — CID 61243414

IUPACN-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCC(=O)N(CCN(C)C)Cc1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-13(17)16(9-8-15(2)3)11-12-6-5-7-14-10-12/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyHHAAPPRPJBCXHA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 61243414) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID61243414
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCC(=O)N(CCN(C)C)Cc1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-13(17)16(9-8-15(2)3)11-12-6-5-7-14-10-12/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyHHAAPPRPJBCXHA-UHFFFAOYSA-N
XLogP1.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
CID 81083766
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
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
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 87008900
N-[2-(dimethylamino)ethyl]-2-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46966320
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide (CID 61243414) is N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide is CCC(=O)N(CCN(C)C)Cc1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HHAAPPRPJBCXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-13(17)16(9-8-15(2)3)11-12-6-5-7-14-10-12/h5-7,10H,4,8-9,11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide?
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 61243414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).