6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide

C19H23N3O2 — CID 657585

IUPAC6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
SMILESCc1nc(NCc2ccccc2)c(C(N)=O)c2c1COC(C)(C)C2
InChIInChI=1S/C19H23N3O2/c1-12-15-11-24-19(2,3)9-14(15)16(17(20)23)18(22-12)21-10-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyOPCMWRQJPCCJQG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds4

About 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide

6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide (PubChem CID 657585) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
PubChem CID657585
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide
SMILESCc1nc(NCc2ccccc2)c(C(N)=O)c2c1COC(C)(C)C2
InChIInChI=1S/C19H23N3O2/c1-12-15-11-24-19(2,3)9-14(15)16(17(20)23)18(22-12)21-10-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyOPCMWRQJPCCJQG-UHFFFAOYSA-N
XLogP2.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
The IUPAC name of 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide (CID 657585) is 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
The canonical SMILES for 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide is Cc1nc(NCc2ccccc2)c(C(N)=O)c2c1COC(C)(C)C2.
What is the InChIKey of 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
The InChIKey is OPCMWRQJPCCJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-15-11-24-19(2,3)9-14(15)16(17(20)23)18(22-12)21-10-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide?
6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 657585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).