4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide

C12H18N2O2 — CID 87010748

IUPAC4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCOCCCC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C12H18N2O2/c1-14(12(15)6-4-8-16-2)10-11-5-3-7-13-9-11/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyOJXKNBZSIRHXON-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.47
Rot. Bonds6

About 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide

4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 87010748) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID87010748
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCOCCCC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C12H18N2O2/c1-14(12(15)6-4-8-16-2)10-11-5-3-7-13-9-11/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyOJXKNBZSIRHXON-UHFFFAOYSA-N
XLogP1.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86822663
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86993083
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
CID 47488024
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
tert-butyl N-[4-[methyl(pyridin-3-ylmethyl)amino]-4-oxobutyl]carbamate
CID 86907873
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
N-methyl-N-(pyridin-3-ylmethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 86822666
methyl N'-(2-methoxyethyl)-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioate
CID 54091558

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 87010748) is 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide is COCCCC(=O)N(C)Cc1cccnc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is OJXKNBZSIRHXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(12(15)6-4-8-16-2)10-11-5-3-7-13-9-11/h3,5,7,9H,4,6,8,10H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide?
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 87010748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).