methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate

C19H20N2O4 — CID 129400445

IUPACmethyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)C[C@H]2OCCc3ccccc32)n1
InChIInChI=1S/C19H20N2O4/c1-24-19(23)11-14-6-4-8-17(20-14)21-18(22)12-16-15-7-3-2-5-13(15)9-10-25-16/h2-8,16H,9-12H2,1H3,(H,20,21,22)/t16-/m1/s1
InChIKeyZNJGAWGYAJRQBM-MRXNPFEDSA-N
MW340.38 g/mol
LogP2.44
Rot. Bonds5

About methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate

methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate (PubChem CID 129400445) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate
PubChem CID129400445
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)C[C@H]2OCCc3ccccc32)n1
InChIInChI=1S/C19H20N2O4/c1-24-19(23)11-14-6-4-8-17(20-14)21-18(22)12-16-15-7-3-2-5-13(15)9-10-25-16/h2-8,16H,9-12H2,1H3,(H,20,21,22)/t16-/m1/s1
InChIKeyZNJGAWGYAJRQBM-MRXNPFEDSA-N
XLogP2.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate with MolForge

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Related Compounds

2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 97066159
methyl 4-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-3-hydroxybenzoate
CID 75392069
N-(2-benzylphenyl)-2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetamide
CID 97082587
methyl 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]acetate
CID 62737324
5-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 119255126
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetamide
CID 99204892
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 111386279
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119524618
1-cyclopropyl-3-(3,4-dihydro-1H-isochromen-1-yl)-1-methoxypropan-2-one
CID 116709067
1-(3,4-dihydro-1H-isochromen-1-yl)-3,4-dimethylpentan-2-one
CID 114977062
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99107193
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]acetamide
CID 75394584

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate (CID 129400445) is methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate is COC(=O)Cc1cccc(NC(=O)C[C@H]2OCCc3ccccc32)n1.
What is the InChIKey of methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate?
The InChIKey is ZNJGAWGYAJRQBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-19(23)11-14-6-4-8-17(20-14)21-18(22)12-16-15-7-3-2-5-13(15)9-10-25-16/h2-8,16H,9-12H2,1H3,(H,20,21,22)/t16-/m1/s1.
What are the key properties of methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate?
methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate has a molecular weight of 340.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]-2-pyridinyl]acetate is sourced from PubChem (CID 129400445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).