1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide

C16H13N5O4S — CID 39040001

IUPAC1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(Cc2csc(Nc3ccccc3)n2)c1=O
InChIInChI=1S/C16H13N5O4S/c17-14(22)13-6-12(21(24)25)8-20(15(13)23)7-11-9-26-16(19-11)18-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H2,17,22)(H,18,19)
InChIKeyUVFCGJGNIDOLTO-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.10
Rot. Bonds6

About 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide

1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide (PubChem CID 39040001) has the molecular formula C16H13N5O4S and a molecular weight of 371.38 g/mol. Its IUPAC name is 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
PubChem CID39040001
Molecular FormulaC16H13N5O4S
Molecular Weight371.38 g/mol
Exact Mass371.07
IUPAC Name1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(Cc2csc(Nc3ccccc3)n2)c1=O
InChIInChI=1S/C16H13N5O4S/c17-14(22)13-6-12(21(24)25)8-20(15(13)23)7-11-9-26-16(19-11)18-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H2,17,22)(H,18,19)
InChIKeyUVFCGJGNIDOLTO-UHFFFAOYSA-N
XLogP2.10
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

1-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39038454
1-[[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39038270
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 34349709
5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide
CID 39037579
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 71921248
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate
CID 7866099
3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 55578169
ethyl 4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate
CID 39894500
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 35500675
2-O-[(2-anilino-1,3-thiazol-4-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505350
1-[(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 94386546

Frequently Asked Questions

What is the IUPAC name of 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide (CID 39040001) is 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cn(Cc2csc(Nc3ccccc3)n2)c1=O.
What is the InChIKey of 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide?
The InChIKey is UVFCGJGNIDOLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4S/c17-14(22)13-6-12(21(24)25)8-20(15(13)23)7-11-9-26-16(19-11)18-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H2,17,22)(H,18,19).
What are the key properties of 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide?
1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 39040001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).