2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide

C17H21N5O — CID 119890443

IUPAC2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
SMILESNc1ccc(CC(=O)NCC2CCCN2c2cccnn2)cc1
InChIInChI=1S/C17H21N5O/c18-14-7-5-13(6-8-14)11-17(23)19-12-15-3-2-10-22(15)16-4-1-9-20-21-16/h1,4-9,15H,2-3,10-12,18H2,(H,19,23)
InChIKeySVLFHZBNJZLSMQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.39
Rot. Bonds5

About 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide

2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 119890443) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
PubChem CID119890443
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
SMILESNc1ccc(CC(=O)NCC2CCCN2c2cccnn2)cc1
InChIInChI=1S/C17H21N5O/c18-14-7-5-13(6-8-14)11-17(23)19-12-15-3-2-10-22(15)16-4-1-9-20-21-16/h1,4-9,15H,2-3,10-12,18H2,(H,19,23)
InChIKeySVLFHZBNJZLSMQ-UHFFFAOYSA-N
XLogP1.39
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
CID 119890433
3-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 119890453
3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
CID 119890481
3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
CID 96504030
N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
CID 124885406
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 97028778
(2S,4S)-2-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120637035
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide (CID 119890443) is 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide is Nc1ccc(CC(=O)NCC2CCCN2c2cccnn2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is SVLFHZBNJZLSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-14-7-5-13(6-8-14)11-17(23)19-12-15-3-2-10-22(15)16-4-1-9-20-21-16/h1,4-9,15H,2-3,10-12,18H2,(H,19,23).
What are the key properties of 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide?
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 119890443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).