3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one

C16H14N2O2 — CID 10563688

IUPAC3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one
SMILESCOc1ccc2c(c1)C(N)=C(Cc1cccnc1)C2=O
InChIInChI=1S/C16H14N2O2/c1-20-11-4-5-12-13(8-11)15(17)14(16(12)19)7-10-3-2-6-18-9-10/h2-6,8-9H,7,17H2,1H3
InChIKeyAEJBCKNXVOROCV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds3

About 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one

3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one (PubChem CID 10563688) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one.

Molecular Properties

Compound Name3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one
PubChem CID10563688
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one
SMILESCOc1ccc2c(c1)C(N)=C(Cc1cccnc1)C2=O
InChIInChI=1S/C16H14N2O2/c1-20-11-4-5-12-13(8-11)15(17)14(16(12)19)7-10-3-2-6-18-9-10/h2-6,8-9H,7,17H2,1H3
InChIKeyAEJBCKNXVOROCV-UHFFFAOYSA-N
XLogP2.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-methoxy-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
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3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848
7,12-dimethoxy-3-(pyridin-3-ylmethyl)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one?
The IUPAC name of 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one (CID 10563688) is 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one.
What is the SMILES notation for 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one?
The canonical SMILES for 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one is COc1ccc2c(c1)C(N)=C(Cc1cccnc1)C2=O.
What is the InChIKey of 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one?
The InChIKey is AEJBCKNXVOROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-11-4-5-12-13(8-11)15(17)14(16(12)19)7-10-3-2-6-18-9-10/h2-6,8-9H,7,17H2,1H3.
What are the key properties of 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one?
3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-2-(pyridin-3-ylmethyl)inden-1-one is sourced from PubChem (CID 10563688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).