N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C20H22ClN5O2 — CID 136524922

IUPACN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C20H22ClN5O2/c1-24(17-10-13-26(20(17)28)16-7-3-2-6-14(16)21)19(27)15-8-9-18(23-22-15)25-11-4-5-12-25/h2-3,6-9,17H,4-5,10-13H2,1H3
InChIKeyNXEKGHBYYYTETQ-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 136524922) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID136524922
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC NameN-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C20H22ClN5O2/c1-24(17-10-13-26(20(17)28)16-7-3-2-6-14(16)21)19(27)15-8-9-18(23-22-15)25-11-4-5-12-25/h2-3,6-9,17H,4-5,10-13H2,1H3
InChIKeyNXEKGHBYYYTETQ-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524921
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 124684296
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119323451
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471
9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990399
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 136524922) is N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CN(C(=O)c1ccc(N2CCCC2)nn1)C1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is NXEKGHBYYYTETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-24(17-10-13-26(20(17)28)16-7-3-2-6-14(16)21)19(27)15-8-9-18(23-22-15)25-11-4-5-12-25/h2-3,6-9,17H,4-5,10-13H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 136524922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).