3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide

C13H21N3O2 — CID 91831930

IUPAC3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)Cc1cc(OC)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(7-13(17)14-2)16(3)9-11-8-12(18-4)5-6-15-11/h5-6,8,10H,7,9H2,1-4H3,(H,14,17)
InChIKeyVBCOOGOAIBOXRL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds6

About 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide

3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide (PubChem CID 91831930) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
PubChem CID91831930
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)Cc1cc(OC)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(7-13(17)14-2)16(3)9-11-8-12(18-4)5-6-15-11/h5-6,8,10H,7,9H2,1-4H3,(H,14,17)
InChIKeyVBCOOGOAIBOXRL-UHFFFAOYSA-N
XLogP1.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide
CID 99938179
(3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide
CID 99938180
(2S)-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)propanamide
CID 126446714
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 91834243
3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide
CID 112509523
(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide
CID 95217499
N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine
CID 79244322
4-methoxy-2-propylpyridine
CID 11084054
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
CID 50985142
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 50970573

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide?
The IUPAC name of 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide (CID 91831930) is 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide?
The canonical SMILES for 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide is CNC(=O)CC(C)N(C)Cc1cc(OC)ccn1.
What is the InChIKey of 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide?
The InChIKey is VBCOOGOAIBOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(7-13(17)14-2)16(3)9-11-8-12(18-4)5-6-15-11/h5-6,8,10H,7,9H2,1-4H3,(H,14,17).
What are the key properties of 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide?
3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 91831930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).