N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride

C17H23Cl2N5O — CID 119529366

IUPACN-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(CNC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1
InChIInChI=1S/C17H21N5O.2ClH/c18-14(13-6-2-1-3-7-13)12-19-17(23)15-8-9-16(21-20-15)22-10-4-5-11-22;;/h1-3,6-9,14H,4-5,10-12,18H2,(H,19,23);2*1H
InChIKeyTWVBOYBFXRUKLS-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.35
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride

N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride (PubChem CID 119529366) has the molecular formula C17H23Cl2N5O and a molecular weight of 384.31 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
PubChem CID119529366
Molecular FormulaC17H23Cl2N5O
Molecular Weight384.31 g/mol
Exact Mass383.13
IUPAC NameN-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(CNC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1
InChIInChI=1S/C17H21N5O.2ClH/c18-14(13-6-2-1-3-7-13)12-19-17(23)15-8-9-16(21-20-15)22-10-4-5-11-22;;/h1-3,6-9,14H,4-5,10-12,18H2,(H,19,23);2*1H
InChIKeyTWVBOYBFXRUKLS-UHFFFAOYSA-N
XLogP2.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride (CID 119529366) is N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride is Cl.Cl.NC(CNC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride?
The InChIKey is TWVBOYBFXRUKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O.2ClH/c18-14(13-6-2-1-3-7-13)12-19-17(23)15-8-9-16(21-20-15)22-10-4-5-11-22;;/h1-3,6-9,14H,4-5,10-12,18H2,(H,19,23);2*1H.
What are the key properties of N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride?
N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride has a molecular weight of 384.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119529366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).