methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate

C20H24N2O3 — CID 54281184

IUPACmethyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
SMILESCNc1cccc(CCOc2ccc(C=C(C)CC(=O)OC)cc2)n1
InChIInChI=1S/C20H24N2O3/c1-15(14-20(23)24-3)13-16-7-9-18(10-8-16)25-12-11-17-5-4-6-19(21-2)22-17/h4-10,13H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyRQWVXEOOYSWNFP-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.71
Rot. Bonds8

About methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate

methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate (PubChem CID 54281184) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
PubChem CID54281184
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
SMILESCNc1cccc(CCOc2ccc(C=C(C)CC(=O)OC)cc2)n1
InChIInChI=1S/C20H24N2O3/c1-15(14-20(23)24-3)13-16-7-9-18(10-8-16)25-12-11-17-5-4-6-19(21-2)22-17/h4-10,13H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyRQWVXEOOYSWNFP-UHFFFAOYSA-N
XLogP3.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[2-[4-(2-methylbut-1-enyl)phenoxy]ethyl]pyridin-2-amine
CID 141013947
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
CID 141013948
(2S)-2-[(2-hydroxy-2-phenylacetyl)amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25184627
3-(2-ethylphenyl)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]butanoic acid
CID 70115234
(3R)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-3-(1,3-thiazol-2-yl)butanoic acid
CID 54368391
methyl 3,3-dimethyl-4-[4-[2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]ethoxy]phenyl]butanoate
CID 12018747
(2S)-2-[(2-chloro-5-methoxybenzoyl)amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 68898749
(2S)-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 68901306
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
(2S)-2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25184417

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate?
The IUPAC name of methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate (CID 54281184) is methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate.
What is the SMILES notation for methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate?
The canonical SMILES for methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate is CNc1cccc(CCOc2ccc(C=C(C)CC(=O)OC)cc2)n1.
What is the InChIKey of methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate?
The InChIKey is RQWVXEOOYSWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(14-20(23)24-3)13-16-7-9-18(10-8-16)25-12-11-17-5-4-6-19(21-2)22-17/h4-10,13H,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate?
methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate has a molecular weight of 340.42 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate is sourced from PubChem (CID 54281184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).