methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate

C21H35N3O3 — CID 176690573

IUPACmethyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate
SMILESC=C1C=C(C)C(CCN(C)C)=CN1C(CC(C)C)C(=O)NCCC(=O)OC
InChIInChI=1S/C21H35N3O3/c1-15(2)12-19(21(26)22-10-8-20(25)27-7)24-14-18(9-11-23(5)6)16(3)13-17(24)4/h13-15,19H,4,8-12H2,1-3,5-7H3,(H,22,26)
InChIKeyGNQPSDOBFINYEK-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.69
Rot. Bonds10

About methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate

methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate (PubChem CID 176690573) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate
PubChem CID176690573
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Namemethyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate
SMILESC=C1C=C(C)C(CCN(C)C)=CN1C(CC(C)C)C(=O)NCCC(=O)OC
InChIInChI=1S/C21H35N3O3/c1-15(2)12-19(21(26)22-10-8-20(25)27-7)24-14-18(9-11-23(5)6)16(3)13-17(24)4/h13-15,19H,4,8-12H2,1-3,5-7H3,(H,22,26)
InChIKeyGNQPSDOBFINYEK-UHFFFAOYSA-N
XLogP2.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-2-imino-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoyl]amino]propanoate
CID 176690731
3-[[(2S)-2-[5-[2-(dimethylamino)ethyl]-4-methyl-2,3-dioxopyrazin-1-yl]-4-methylpentanoyl]amino]propanoic acid
CID 175919680
[2-carboxy-1-[6-ethynyl-5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]ethyl]-[(2R)-2-[5-[2-(dimethylamino)ethyl]-2-methylidene-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanoyl]-methylideneazanium
CID 170000281
methyl (2S)-2-[3-[2-(dimethylamino)ethyl]-6-oxopyridazin-1-yl]-4-methylpentanoate
CID 168984621
2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781285
2-[3-[2-(dimethylamino)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 175588053
methyl 3-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]propanoate
CID 107040131
methyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963729
methyl 3-(prop-2-enylcarbamoylamino)propanoate
CID 60706179
methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
CID 55010482
methyl 3-[[5-(dimethylamino)-4-methylpentan-2-yl]amino]propanoate
CID 174302940
methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate
CID 86866759

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate (CID 176690573) is methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate is C=C1C=C(C)C(CCN(C)C)=CN1C(CC(C)C)C(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate?
The InChIKey is GNQPSDOBFINYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-15(2)12-19(21(26)22-10-8-20(25)27-7)24-14-18(9-11-23(5)6)16(3)13-17(24)4/h13-15,19H,4,8-12H2,1-3,5-7H3,(H,22,26).
What are the key properties of methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate?
methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate has a molecular weight of 377.53 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-methylidene-1-pyridinyl]-4-methylpentanoyl]amino]propanoate is sourced from PubChem (CID 176690573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).