6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide

C21H22N4O3 — CID 171802698

IUPAC6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide
SMILESCNC(=O)c1cnc(C2=CN=CCC2C)c2c1Nc1c(OC)cc(C)cc1O2
InChIInChI=1S/C21H22N4O3/c1-11-7-15(27-4)19-16(8-11)28-20-17(13-9-23-6-5-12(13)2)24-10-14(18(20)25-19)21(26)22-3/h6-10,12,25H,5H2,1-4H3,(H,22,26)
InChIKeyZIBXRKVVQHFKER-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.06
Rot. Bonds3

About 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide

6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide (PubChem CID 171802698) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide
PubChem CID171802698
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide
SMILESCNC(=O)c1cnc(C2=CN=CCC2C)c2c1Nc1c(OC)cc(C)cc1O2
InChIInChI=1S/C21H22N4O3/c1-11-7-15(27-4)19-16(8-11)28-20-17(13-9-23-6-5-12(13)2)24-10-14(18(20)25-19)21(26)22-3/h6-10,12,25H,5H2,1-4H3,(H,22,26)
InChIKeyZIBXRKVVQHFKER-UHFFFAOYSA-N
XLogP4.06
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide?
The IUPAC name of 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide (CID 171802698) is 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide?
The canonical SMILES for 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide is CNC(=O)c1cnc(C2=CN=CCC2C)c2c1Nc1c(OC)cc(C)cc1O2.
What is the InChIKey of 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide?
The InChIKey is ZIBXRKVVQHFKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-11-7-15(27-4)19-16(8-11)28-20-17(13-9-23-6-5-12(13)2)24-10-14(18(20)25-19)21(26)22-3/h6-10,12,25H,5H2,1-4H3,(H,22,26).
What are the key properties of 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide?
6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,8-dimethyl-1-(4-methyl-3,4-dihydropyridin-5-yl)-5H-pyrido[3,4-b][1,4]benzoxazine-4-carboxamide is sourced from PubChem (CID 171802698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).