5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide

C20H19N5O5S — CID 39037579

IUPAC5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide
SMILESCCCc1ccc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)n2)cc1
InChIInChI=1S/C20H19N5O5S/c1-2-3-12-4-6-13(7-5-12)16-11-31-20(22-16)23-17(26)10-24-9-14(25(29)30)8-15(18(21)27)19(24)28/h4-9,11H,2-3,10H2,1H3,(H2,21,27)(H,22,23,26)
InChIKeyRFZUHRIPYPNKPV-UHFFFAOYSA-N
MW441.47 g/mol
LogP2.57
Rot. Bonds8

About 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide

5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 39037579) has the molecular formula C20H19N5O5S and a molecular weight of 441.47 g/mol. Its IUPAC name is 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide
PubChem CID39037579
Molecular FormulaC20H19N5O5S
Molecular Weight441.47 g/mol
Exact Mass441.11
IUPAC Name5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide
SMILESCCCc1ccc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)n2)cc1
InChIInChI=1S/C20H19N5O5S/c1-2-3-12-4-6-13(7-5-12)16-11-31-20(22-16)23-17(26)10-24-9-14(25(29)30)8-15(18(21)27)19(24)28/h4-9,11H,2-3,10H2,1H3,(H2,21,27)(H,22,23,26)
InChIKeyRFZUHRIPYPNKPV-UHFFFAOYSA-N
XLogP2.57
TPSA150.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.57
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

2-chloro-4-nitro-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3910759
2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 51317373
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8632772
1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39040001
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
methyl 1-[2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55667426
1-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55546776
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55382259
5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide
CID 55531473
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 42943028
butyl N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamate
CID 15916634
2,2,2-trifluoro-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 5130084

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide (CID 39037579) is 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide is CCCc1ccc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)n2)cc1.
What is the InChIKey of 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is RFZUHRIPYPNKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5S/c1-2-3-12-4-6-13(7-5-12)16-11-31-20(22-16)23-17(26)10-24-9-14(25(29)30)8-15(18(21)27)19(24)28/h4-9,11H,2-3,10H2,1H3,(H2,21,27)(H,22,23,26).
What are the key properties of 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide?
5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39037579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).