N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C20H22N6O2 — CID 155597155

IUPACN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)N2CCOc3cccnc32)c1
InChIInChI=1S/C20H22N6O2/c1-14(11-18-24-22-13-25(18)2)15-5-3-6-16(12-15)23-20(27)26-9-10-28-17-7-4-8-21-19(17)26/h3-8,12-14H,9-11H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyWKQGYDSQKWQBHO-CQSZACIVSA-N
MW378.44 g/mol
LogP2.99
Rot. Bonds4

About N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 155597155) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID155597155
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)N2CCOc3cccnc32)c1
InChIInChI=1S/C20H22N6O2/c1-14(11-18-24-22-13-25(18)2)15-5-3-6-16(12-15)23-20(27)26-9-10-28-17-7-4-8-21-19(17)26/h3-8,12-14H,9-11H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyWKQGYDSQKWQBHO-CQSZACIVSA-N
XLogP2.99
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 155597155) is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)N2CCOc3cccnc32)c1.
What is the InChIKey of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is WKQGYDSQKWQBHO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14(11-18-24-22-13-25(18)2)15-5-3-6-16(12-15)23-20(27)26-9-10-28-17-7-4-8-21-19(17)26/h3-8,12-14H,9-11H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 155597155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).