2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine

C17H20N4O3 — CID 133390029

IUPAC2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCOCC3)nc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H20N4O3/c1-12-3-4-15(16(11-12)21(22)23)19-14-5-6-17(18-13(14)2)20-7-9-24-10-8-20/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKPTVXAJPWBMRCX-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine

2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine (PubChem CID 133390029) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine
PubChem CID133390029
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCOCC3)nc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H20N4O3/c1-12-3-4-15(16(11-12)21(22)23)19-14-5-6-17(18-13(14)2)20-7-9-24-10-8-20/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKPTVXAJPWBMRCX-UHFFFAOYSA-N
XLogP3.19
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine (CID 133390029) is 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine is Cc1ccc(Nc2ccc(N3CCOCC3)nc2C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is KPTVXAJPWBMRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-3-4-15(16(11-12)21(22)23)19-14-5-6-17(18-13(14)2)20-7-9-24-10-8-20/h3-6,11,19H,7-10H2,1-2H3.
What are the key properties of 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine?
2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 328.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 133390029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).