N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide

C12H21N3O — CID 134406752

IUPACN-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide
SMILESCCC(=O)N(CCNC)C1=CC=C(C)NC1
InChIInChI=1S/C12H21N3O/c1-4-12(16)15(8-7-13-3)11-6-5-10(2)14-9-11/h5-6,13-14H,4,7-9H2,1-3H3
InChIKeyRDGJVZGAQMHOHU-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.84
Rot. Bonds5

About N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide

N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide (PubChem CID 134406752) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide
PubChem CID134406752
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide
SMILESCCC(=O)N(CCNC)C1=CC=C(C)NC1
InChIInChI=1S/C12H21N3O/c1-4-12(16)15(8-7-13-3)11-6-5-10(2)14-9-11/h5-6,13-14H,4,7-9H2,1-3H3
InChIKeyRDGJVZGAQMHOHU-UHFFFAOYSA-N
XLogP0.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide (CID 134406752) is N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide is CCC(=O)N(CCNC)C1=CC=C(C)NC1.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide?
The InChIKey is RDGJVZGAQMHOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-12(16)15(8-7-13-3)11-6-5-10(2)14-9-11/h5-6,13-14H,4,7-9H2,1-3H3.
What are the key properties of N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide?
N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide has a molecular weight of 223.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-(6-methyl-1,2-dihydropyridin-3-yl)propanamide is sourced from PubChem (CID 134406752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).