N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide

C13H21N3O2 — CID 55030985

IUPACN-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OCCC(=O)N(C)CCCN)cn1
InChIInChI=1S/C13H21N3O2/c1-11-4-5-12(10-15-11)18-9-6-13(17)16(2)8-3-7-14/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyIAIWSZGRVOPHAY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.97
Rot. Bonds7

About N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide

N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide (PubChem CID 55030985) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide
PubChem CID55030985
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OCCC(=O)N(C)CCCN)cn1
InChIInChI=1S/C13H21N3O2/c1-11-4-5-12(10-15-11)18-9-6-13(17)16(2)8-3-7-14/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyIAIWSZGRVOPHAY-UHFFFAOYSA-N
XLogP0.97
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
N-(3-aminopropyl)-N-methyl-3-quinolin-8-yloxypropanamide
CID 43254317
5-butoxy-2-methylpyridine
CID 13154052
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
CID 110837113
N-(3-aminopropyl)-N-methyl-3-quinolin-5-yloxypropanamide
CID 103044350

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide (CID 55030985) is N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide is Cc1ccc(OCCC(=O)N(C)CCCN)cn1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide?
The InChIKey is IAIWSZGRVOPHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-4-5-12(10-15-11)18-9-6-13(17)16(2)8-3-7-14/h4-5,10H,3,6-9,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide?
N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 55030985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).