2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid

C18H20N4O3 — CID 136552822

IUPAC2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(N2CCCC2)nn1)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20N4O3/c1-18(17(24)25,13-7-3-2-4-8-13)19-16(23)14-9-10-15(21-20-14)22-11-5-6-12-22/h2-4,7-10H,5-6,11-12H2,1H3,(H,19,23)(H,24,25)
InChIKeyIUVVYMVVDPOLHD-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.81
Rot. Bonds5

About 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid

2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 136552822) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid
PubChem CID136552822
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(N2CCCC2)nn1)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20N4O3/c1-18(17(24)25,13-7-3-2-4-8-13)19-16(23)14-9-10-15(21-20-14)22-11-5-6-12-22/h2-4,7-10H,5-6,11-12H2,1H3,(H,19,23)(H,24,25)
InChIKeyIUVVYMVVDPOLHD-UHFFFAOYSA-N
XLogP1.81
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate
CID 99787474
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119368696
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid (CID 136552822) is 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1ccc(N2CCCC2)nn1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is IUVVYMVVDPOLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(17(24)25,13-7-3-2-4-8-13)19-16(23)14-9-10-15(21-20-14)22-11-5-6-12-22/h2-4,7-10H,5-6,11-12H2,1H3,(H,19,23)(H,24,25).
What are the key properties of 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid?
2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 136552822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).