1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide

C24H21N5O4 — CID 11247748

IUPAC1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide
SMILESC#Cc1ccc(NC(=O)N2CC(O)CN2C(=O)Nc2ccc(-n3ccccc3=O)cc2)cc1
InChIInChI=1S/C24H21N5O4/c1-2-17-6-8-18(9-7-17)25-23(32)28-15-21(30)16-29(28)24(33)26-19-10-12-20(13-11-19)27-14-4-3-5-22(27)31/h1,3-14,21,30H,15-16H2,(H,25,32)(H,26,33)
InChIKeyJZHGFLVQQLCHQK-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.48
Rot. Bonds3

About 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide

1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide (PubChem CID 11247748) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide
PubChem CID11247748
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide
SMILESC#Cc1ccc(NC(=O)N2CC(O)CN2C(=O)Nc2ccc(-n3ccccc3=O)cc2)cc1
InChIInChI=1S/C24H21N5O4/c1-2-17-6-8-18(9-7-17)25-23(32)28-15-21(30)16-29(28)24(33)26-19-10-12-20(13-11-19)27-14-4-3-5-22(27)31/h1,3-14,21,30H,15-16H2,(H,25,32)(H,26,33)
InChIKeyJZHGFLVQQLCHQK-UHFFFAOYSA-N
XLogP2.48
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide with MolForge

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Related Compounds

2-[(4-ethynylphenyl)carbamoylamino]-4-methylsulfonyl-N-[4-(2-oxo-1-pyridinyl)phenyl]butanamide
CID 58626513
2-[(4-ethynylphenyl)carbamoylamino]-3-methylsulfonyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide
CID 85435465
3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide
CID 70346946
4-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxolane-3-carboxamide
CID 69439141
4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
CID 11561249
(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593480
1-[4-(oxidoamino)phenyl]pyridin-2-one
CID 142825420
1-(3-chloropropyl)-3-[4-(2-oxo-1-pyridinyl)phenyl]urea
CID 58787231
1-acetyl-4-N-[4-(2-oxo-1-pyridinyl)phenyl]piperidine-2,4-dicarboxamide
CID 173143047
benzene;N-[4-(5-ethynyl-1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 159881016
(2R,4R)-1-(4-ethynylphenyl)-4-methoxy-2-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-1-ium-1,2-dicarboxamide
CID 87648274
3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide
CID 69441360

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide (CID 11247748) is 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide is C#Cc1ccc(NC(=O)N2CC(O)CN2C(=O)Nc2ccc(-n3ccccc3=O)cc2)cc1.
What is the InChIKey of 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide?
The InChIKey is JZHGFLVQQLCHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-2-17-6-8-18(9-7-17)25-23(32)28-15-21(30)16-29(28)24(33)26-19-10-12-20(13-11-19)27-14-4-3-5-22(27)31/h1,3-14,21,30H,15-16H2,(H,25,32)(H,26,33).
What are the key properties of 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide?
1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrazolidine-1,2-dicarboxamide is sourced from PubChem (CID 11247748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).