N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide

C13H19N3O2 — CID 95903055

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
SMILESCN(C)C(=O)CN(C)C(=O)CCc1cccnc1
InChIInChI=1S/C13H19N3O2/c1-15(2)13(18)10-16(3)12(17)7-6-11-5-4-8-14-9-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyJOTPVFIJAUJXSZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.56
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide (PubChem CID 95903055) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
PubChem CID95903055
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
SMILESCN(C)C(=O)CN(C)C(=O)CCc1cccnc1
InChIInChI=1S/C13H19N3O2/c1-15(2)13(18)10-16(3)12(17)7-6-11-5-4-8-14-9-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyJOTPVFIJAUJXSZ-UHFFFAOYSA-N
XLogP0.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 86912821
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 40718725
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 134003798
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 70707076
N-(4-hydroxycyclohexyl)-N-methyl-3-pyridin-3-ylpropanamide
CID 115277440
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
N-methyl-3-pyridin-3-yl-N-[[3-(tetrazolidin-5-yl)phenyl]methyl]propanamide
CID 133264805
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
2-[(2-amino-2-oxoethyl)-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 107434413
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide (CID 95903055) is N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide is CN(C)C(=O)CN(C)C(=O)CCc1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide?
The InChIKey is JOTPVFIJAUJXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)13(18)10-16(3)12(17)7-6-11-5-4-8-14-9-11/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 95903055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).