2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C14H15N3O4S — CID 97007891

IUPAC2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCc1ccn(CC(=O)N[C@H](C)c2cccs2)c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4S/c1-9-5-6-16(14(19)13(9)17(20)21)8-12(18)15-10(2)11-4-3-7-22-11/h3-7,10H,8H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyOTGRXAABOLRQIE-SNVBAGLBSA-N
MW321.36 g/mol
LogP2.00
Rot. Bonds5

About 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 97007891) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID97007891
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCc1ccn(CC(=O)N[C@H](C)c2cccs2)c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4S/c1-9-5-6-16(14(19)13(9)17(20)21)8-12(18)15-10(2)11-4-3-7-22-11/h3-7,10H,8H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyOTGRXAABOLRQIE-SNVBAGLBSA-N
XLogP2.00
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.00
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-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 97007891) is 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is Cc1ccn(CC(=O)N[C@H](C)c2cccs2)c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is OTGRXAABOLRQIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-9-5-6-16(14(19)13(9)17(20)21)8-12(18)15-10(2)11-4-3-7-22-11/h3-7,10H,8H2,1-2H3,(H,15,18)/t10-/m1/s1.
What are the key properties of 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 321.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 97007891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).