6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide

C20H26N4O2 — CID 30333373

IUPAC6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1=O
InChIInChI=1S/C20H26N4O2/c1-2-12-24-19(25)11-10-17(22-24)20(26)21-15-18(23-13-6-7-14-23)16-8-4-3-5-9-16/h3-5,8-11,18H,2,6-7,12-15H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyOUIQZIZQXTWSEC-SFHVURJKSA-N
MW354.45 g/mol
LogP2.22
Rot. Bonds7

About 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide

6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide (PubChem CID 30333373) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide
PubChem CID30333373
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1=O
InChIInChI=1S/C20H26N4O2/c1-2-12-24-19(25)11-10-17(22-24)20(26)21-15-18(23-13-6-7-14-23)16-8-4-3-5-9-16/h3-5,8-11,18H,2,6-7,12-15H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyOUIQZIZQXTWSEC-SFHVURJKSA-N
XLogP2.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 112789918
1-(2-methoxyethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 30522946
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 42957078
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34963440
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47072597
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51162639
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701
6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
CID 55859833

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide (CID 30333373) is 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1=O.
What is the InChIKey of 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide?
The InChIKey is OUIQZIZQXTWSEC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-12-24-19(25)11-10-17(22-24)20(26)21-15-18(23-13-6-7-14-23)16-8-4-3-5-9-16/h3-5,8-11,18H,2,6-7,12-15H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide?
6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 30333373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).