benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine

C23H28N4O — CID 176991245

IUPACbenzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCc1ccc(C(C)CNCC2CNc3cccnc3O2)cn1.c1ccccc1
InChIInChI=1S/C17H22N4O.C6H6/c1-12(14-6-5-13(2)20-9-14)8-18-10-15-11-21-16-4-3-7-19-17(16)22-15;1-2-4-6-5-3-1/h3-7,9,12,15,18,21H,8,10-11H2,1-2H3;1-6H
InChIKeyQYSMJJMKEVXCRR-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.04
Rot. Bonds5

About benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine

benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine (PubChem CID 176991245) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Namebenzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine
PubChem CID176991245
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Namebenzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCc1ccc(C(C)CNCC2CNc3cccnc3O2)cn1.c1ccccc1
InChIInChI=1S/C17H22N4O.C6H6/c1-12(14-6-5-13(2)20-9-14)8-18-10-15-11-21-16-4-3-7-19-17(16)22-15;1-2-4-6-5-3-1/h3-7,9,12,15,18,21H,8,10-11H2,1-2H3;1-6H
InChIKeyQYSMJJMKEVXCRR-UHFFFAOYSA-N
XLogP4.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine 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 benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine (CID 176991245) is benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine is Cc1ccc(C(C)CNCC2CNc3cccnc3O2)cn1.c1ccccc1.
What is the InChIKey of benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is QYSMJJMKEVXCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.C6H6/c1-12(14-6-5-13(2)20-9-14)8-18-10-15-11-21-16-4-3-7-19-17(16)22-15;1-2-4-6-5-3-1/h3-7,9,12,15,18,21H,8,10-11H2,1-2H3;1-6H.
What are the key properties of benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine?
benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 376.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-ylmethyl)-2-(6-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 176991245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).