3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide

C17H18N4O4S — CID 154778690

IUPAC3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(c2cccs2)C(=O)C1)c1ncccc1O
InChIInChI=1S/C17H18N4O4S/c22-12-3-1-6-18-16(12)17(25)19-7-5-13(23)20-8-9-21(14(24)11-20)15-4-2-10-26-15/h1-4,6,10,22H,5,7-9,11H2,(H,19,25)
InChIKeyDZFWUYMKYMCPKV-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.84
Rot. Bonds5

About 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide

3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 154778690) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID154778690
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(c2cccs2)C(=O)C1)c1ncccc1O
InChIInChI=1S/C17H18N4O4S/c22-12-3-1-6-18-16(12)17(25)19-7-5-13(23)20-8-9-21(14(24)11-20)15-4-2-10-26-15/h1-4,6,10,22H,5,7-9,11H2,(H,19,25)
InChIKeyDZFWUYMKYMCPKV-UHFFFAOYSA-N
XLogP0.84
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide
CID 166298231
N-(3-amino-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 60924836
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134161279
3-hydroxypyridine-2-carbohydrazide
CID 45083058
N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55483676
N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 75395596
4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 39948550
N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079
N-[2-[3-(carbamoylamino)pyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 154858868
3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 134161663
ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate
CID 62734876

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide (CID 154778690) is 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide is O=C(NCCC(=O)N1CCN(c2cccs2)C(=O)C1)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is DZFWUYMKYMCPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-12-3-1-6-18-16(12)17(25)19-7-5-13(23)20-8-9-21(14(24)11-20)15-4-2-10-26-15/h1-4,6,10,22H,5,7-9,11H2,(H,19,25).
What are the key properties of 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-oxo-3-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 154778690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).