2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide

C11H11N5O4 — CID 106423055

IUPAC2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ccno2)c([N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O4/c1-12-10-4-8(9(6-13-10)16(18)19)11(17)14-5-7-2-3-15-20-7/h2-4,6H,5H2,1H3,(H,12,13)(H,14,17)
InChIKeyUJAXXVSXWPYTMO-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.95
Rot. Bonds5

About 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide

2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 106423055) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID106423055
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2ccno2)c([N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O4/c1-12-10-4-8(9(6-13-10)16(18)19)11(17)14-5-7-2-3-15-20-7/h2-4,6H,5H2,1H3,(H,12,13)(H,14,17)
InChIKeyUJAXXVSXWPYTMO-UHFFFAOYSA-N
XLogP0.95
TPSA123.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
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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Related Compounds

2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 114185998
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
CID 103952381
4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939713
2-bromo-5-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106415796
4-bromo-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106415790
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
3-chloro-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600434
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
CID 114186980
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide (CID 106423055) is 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2ccno2)c([N+](=O)[O-])cn1.
What is the InChIKey of 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is UJAXXVSXWPYTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-12-10-4-8(9(6-13-10)16(18)19)11(17)14-5-7-2-3-15-20-7/h2-4,6H,5H2,1H3,(H,12,13)(H,14,17).
What are the key properties of 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide?
2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 277.24 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106423055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).