(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone

C15H15N3O2 — CID 105063024

IUPAC(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1Cc2ccc(N)cc2C1
InChIInChI=1S/C15H15N3O2/c1-20-14-7-17-5-4-13(14)15(19)18-8-10-2-3-12(16)6-11(10)9-18/h2-7H,8-9,16H2,1H3
InChIKeyPLLDHZPCPIUPGN-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.83
Rot. Bonds2

About (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone

(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone (PubChem CID 105063024) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone
PubChem CID105063024
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1Cc2ccc(N)cc2C1
InChIInChI=1S/C15H15N3O2/c1-20-14-7-17-5-4-13(14)15(19)18-8-10-2-3-12(16)6-11(10)9-18/h2-7H,8-9,16H2,1H3
InChIKeyPLLDHZPCPIUPGN-UHFFFAOYSA-N
XLogP1.83
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
(5-amino-1,3-dihydroisoindol-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 66000096
3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323207
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
(5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721484
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950
1-(5-amino-1,3-dihydroisoindol-2-yl)-2-methylpropan-1-one
CID 66000085

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone?
The IUPAC name of (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone (CID 105063024) is (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone is COc1cnccc1C(=O)N1Cc2ccc(N)cc2C1.
What is the InChIKey of (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone?
The InChIKey is PLLDHZPCPIUPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-14-7-17-5-4-13(14)15(19)18-8-10-2-3-12(16)6-11(10)9-18/h2-7H,8-9,16H2,1H3.
What are the key properties of (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone?
(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone has a molecular weight of 269.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 105063024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).