(8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine

C23H25N3O — CID 71590844

IUPAC(8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine
SMILESCN1CC2=C(OC(N)=C(CN)C2c2ccccc2)/C(=C/c2ccccc2)C1
InChIInChI=1S/C23H25N3O/c1-26-14-18(12-16-8-4-2-5-9-16)22-20(15-26)21(17-10-6-3-7-11-17)19(13-24)23(25)27-22/h2-12,21H,13-15,24-25H2,1H3/b18-12+
InChIKeyDZVDBRDWSHVZKD-LDADJPATSA-N
MW359.47 g/mol
LogP3.21
Rot. Bonds3

About (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine

(8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine (PubChem CID 71590844) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine.

Molecular Properties

Compound Name(8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine
PubChem CID71590844
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine
SMILESCN1CC2=C(OC(N)=C(CN)C2c2ccccc2)/C(=C/c2ccccc2)C1
InChIInChI=1S/C23H25N3O/c1-26-14-18(12-16-8-4-2-5-9-16)22-20(15-26)21(17-10-6-3-7-11-17)19(13-24)23(25)27-22/h2-12,21H,13-15,24-25H2,1H3/b18-12+
InChIKeyDZVDBRDWSHVZKD-LDADJPATSA-N
XLogP3.21
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine?
The IUPAC name of (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine (CID 71590844) is (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine.
What is the SMILES notation for (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine?
The canonical SMILES for (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine is CN1CC2=C(OC(N)=C(CN)C2c2ccccc2)/C(=C/c2ccccc2)C1.
What is the InChIKey of (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine?
The InChIKey is DZVDBRDWSHVZKD-LDADJPATSA-N. The full InChI is InChI=1S/C23H25N3O/c1-26-14-18(12-16-8-4-2-5-9-16)22-20(15-26)21(17-10-6-3-7-11-17)19(13-24)23(25)27-22/h2-12,21H,13-15,24-25H2,1H3/b18-12+.
What are the key properties of (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine?
(8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine has a molecular weight of 359.47 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-(aminomethyl)-8-benzylidene-6-methyl-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine is sourced from PubChem (CID 71590844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).