N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

C9H12N2O — CID 164584215

IUPACN-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
SMILESCNc1cnc2c(c1)COCC2
InChIInChI=1S/C9H12N2O/c1-10-8-4-7-6-12-3-2-9(7)11-5-8/h4-5,10H,2-3,6H2,1H3
InChIKeyMWHSWWCDWNGFTH-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.20
Rot. Bonds1

About N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine (PubChem CID 164584215) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
PubChem CID164584215
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
SMILESCNc1cnc2c(c1)COCC2
InChIInChI=1S/C9H12N2O/c1-10-8-4-7-6-12-3-2-9(7)11-5-8/h4-5,10H,2-3,6H2,1H3
InChIKeyMWHSWWCDWNGFTH-UHFFFAOYSA-N
XLogP1.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine?
The IUPAC name of N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine (CID 164584215) is N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine?
The canonical SMILES for N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine is CNc1cnc2c(c1)COCC2.
What is the InChIKey of N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine?
The InChIKey is MWHSWWCDWNGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-10-8-4-7-6-12-3-2-9(7)11-5-8/h4-5,10H,2-3,6H2,1H3.
What are the key properties of N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine?
N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine has a molecular weight of 164.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine is sourced from PubChem (CID 164584215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).