N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C21H25N5O2 — CID 136524921

IUPACN-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H25N5O2/c1-2-25(18-12-15-26(21(18)28)16-8-4-3-5-9-16)20(27)17-10-11-19(23-22-17)24-13-6-7-14-24/h3-5,8-11,18H,2,6-7,12-15H2,1H3
InChIKeyUCEXJMJMKWOVEY-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 136524921) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID136524921
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H25N5O2/c1-2-25(18-12-15-26(21(18)28)16-8-4-3-5-9-16)20(27)17-10-11-19(23-22-17)24-13-6-7-14-24/h3-5,8-11,18H,2,6-7,12-15H2,1H3
InChIKeyUCEXJMJMKWOVEY-UHFFFAOYSA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119184961
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524922
2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 119783728
2-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119323654
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 166427367
5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 120632566
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
2-[4-[6-[cyclopropyl(ethyl)carbamoyl]pyridazin-3-yl]piperazine-1-carbonyl]benzoic acid
CID 67011572
3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610711
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 56804641

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 136524921) is N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is UCEXJMJMKWOVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-25(18-12-15-26(21(18)28)16-8-4-3-5-9-16)20(27)17-10-11-19(23-22-17)24-13-6-7-14-24/h3-5,8-11,18H,2,6-7,12-15H2,1H3.
What are the key properties of N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 136524921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).