N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide

C18H21N5O4S — CID 74597654

IUPACN-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)CC1
InChIInChI=1S/C18H21N5O4S/c1-12(24)22-7-9-23(10-8-22)15(25)5-4-13-11-28-18(20-13)21-17(27)14-3-2-6-19-16(14)26/h2-3,6,11,14H,4-5,7-10H2,1H3,(H,20,21,27)
InChIKeyJNMIJERWFYCJSB-UHFFFAOYSA-N
MW403.46 g/mol
LogP0.49
Rot. Bonds5

About N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide

N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide (PubChem CID 74597654) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
PubChem CID74597654
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)CC1
InChIInChI=1S/C18H21N5O4S/c1-12(24)22-7-9-23(10-8-22)15(25)5-4-13-11-28-18(20-13)21-17(27)14-3-2-6-19-16(14)26/h2-3,6,11,14H,4-5,7-10H2,1H3,(H,20,21,27)
InChIKeyJNMIJERWFYCJSB-UHFFFAOYSA-N
XLogP0.49
TPSA112.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate
CID 74526928
N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74526973
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 73338863
2-oxo-N-[4-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75118812
N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74825048
2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338898
1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 27453540
N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30858709
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41160073
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chloro-N-cyclopropylbenzamide
CID 1023826

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide (CID 74597654) is N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide is CC(=O)N1CCN(C(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)CC1.
What is the InChIKey of N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide?
The InChIKey is JNMIJERWFYCJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-12(24)22-7-9-23(10-8-22)15(25)5-4-13-11-28-18(20-13)21-17(27)14-3-2-6-19-16(14)26/h2-3,6,11,14H,4-5,7-10H2,1H3,(H,20,21,27).
What are the key properties of N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide?
N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 74597654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).