methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

C17H19N3O2 — CID 155952186

IUPACmethyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c1CN(Cc1ccnc(N)c1)CC2
InChIInChI=1S/C17H19N3O2/c1-22-17(21)14-4-2-3-13-6-8-20(11-15(13)14)10-12-5-7-19-16(18)9-12/h2-5,7,9H,6,8,10-11H2,1H3,(H2,18,19)
InChIKeyFSKFZPBCUPSPRY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate (PubChem CID 155952186) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate
PubChem CID155952186
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namemethyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c1CN(Cc1ccnc(N)c1)CC2
InChIInChI=1S/C17H19N3O2/c1-22-17(21)14-4-2-3-13-6-8-20(11-15(13)14)10-12-5-7-19-16(18)9-12/h2-5,7,9H,6,8,10-11H2,1H3,(H2,18,19)
InChIKeyFSKFZPBCUPSPRY-UHFFFAOYSA-N
XLogP2.01
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate?
The IUPAC name of methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate (CID 155952186) is methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate.
What is the SMILES notation for methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate?
The canonical SMILES for methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate is COC(=O)c1cccc2c1CN(Cc1ccnc(N)c1)CC2.
What is the InChIKey of methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate?
The InChIKey is FSKFZPBCUPSPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-17(21)14-4-2-3-13-6-8-20(11-15(13)14)10-12-5-7-19-16(18)9-12/h2-5,7,9H,6,8,10-11H2,1H3,(H2,18,19).
What are the key properties of methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate?
methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate is sourced from PubChem (CID 155952186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).