3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H15N5O4 — CID 44522102

IUPAC3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3onc(C)c23)c1
InChIInChI=1S/C20H15N5O4/c1-11-6-7-21-17(8-11)23-19(26)15-10-16(22-20-18(15)12(2)24-29-20)13-4-3-5-14(9-13)25(27)28/h3-10H,1-2H3,(H,21,23,26)
InChIKeyFVUCPEMGTQSCOY-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.06
Rot. Bonds4

About 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44522102) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44522102
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3onc(C)c23)c1
InChIInChI=1S/C20H15N5O4/c1-11-6-7-21-17(8-11)23-19(26)15-10-16(22-20-18(15)12(2)24-29-20)13-4-3-5-14(9-13)25(27)28/h3-10H,1-2H3,(H,21,23,26)
InChIKeyFVUCPEMGTQSCOY-UHFFFAOYSA-N
XLogP4.06
TPSA124.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44522102) is 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccnc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3onc(C)c23)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FVUCPEMGTQSCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c1-11-6-7-21-17(8-11)23-19(26)15-10-16(22-20-18(15)12(2)24-29-20)13-4-3-5-14(9-13)25(27)28/h3-10H,1-2H3,(H,21,23,26).
What are the key properties of 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2-pyridinyl)-6-(3-nitrophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44522102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).