N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide

C13H21N3O3 — CID 54924715

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C13H21N3O3/c1-14-7-3-4-12(17)16-11-5-6-13(15-10-11)19-9-8-18-2/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyIHUMVSPPRSETND-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.04
Rot. Bonds9

About N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide (PubChem CID 54924715) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
PubChem CID54924715
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C13H21N3O3/c1-14-7-3-4-12(17)16-11-5-6-13(15-10-11)19-9-8-18-2/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyIHUMVSPPRSETND-UHFFFAOYSA-N
XLogP1.04
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
3-(cyclopropylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 60867259
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
2-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569275
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
2-(butan-2-ylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 60853381
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 55635310

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide (CID 54924715) is N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(OCCOC)nc1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide?
The InChIKey is IHUMVSPPRSETND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-14-7-3-4-12(17)16-11-5-6-13(15-10-11)19-9-8-18-2/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide has a molecular weight of 267.33 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide is sourced from PubChem (CID 54924715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).