N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C24H26N4O — CID 121027787

IUPACN-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(c1ccc(N2CCCC2)nn1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N4O/c29-24(22-13-14-23(26-25-22)27-16-7-8-17-27)28(19-21-11-5-2-6-12-21)18-15-20-9-3-1-4-10-20/h1-6,9-14H,7-8,15-19H2
InChIKeyOFGFSUPCTRPREZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.96
Rot. Bonds7

About N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027787) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027787
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(c1ccc(N2CCCC2)nn1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N4O/c29-24(22-13-14-23(26-25-22)27-16-7-8-17-27)28(19-21-11-5-2-6-12-21)18-15-20-9-3-1-4-10-20/h1-6,9-14H,7-8,15-19H2
InChIKeyOFGFSUPCTRPREZ-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 121028194
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
N-benzyl-6-(2-methylimidazol-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 121114436
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109120599
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109117118
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027787) is N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(c1ccc(N2CCCC2)nn1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is OFGFSUPCTRPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(22-13-14-23(26-25-22)27-16-7-8-17-27)28(19-21-11-5-2-6-12-21)18-15-20-9-3-1-4-10-20/h1-6,9-14H,7-8,15-19H2.
What are the key properties of N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).