N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine

C20H26ClN5 — CID 95219570

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine
SMILESClc1ccc(N2CCC(N[C@H]3CCN(Cc4ccccc4)C3)CC2)nn1
InChIInChI=1S/C20H26ClN5/c21-19-6-7-20(24-23-19)26-12-9-17(10-13-26)22-18-8-11-25(15-18)14-16-4-2-1-3-5-16/h1-7,17-18,22H,8-15H2/t18-/m0/s1
InChIKeyJOKRHKITWXFNOY-SFHVURJKSA-N
MW371.92 g/mol
LogP2.96
Rot. Bonds5

About N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine

N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine (PubChem CID 95219570) has the molecular formula C20H26ClN5 and a molecular weight of 371.92 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine
PubChem CID95219570
Molecular FormulaC20H26ClN5
Molecular Weight371.92 g/mol
Exact Mass371.19
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine
SMILESClc1ccc(N2CCC(N[C@H]3CCN(Cc4ccccc4)C3)CC2)nn1
InChIInChI=1S/C20H26ClN5/c21-19-6-7-20(24-23-19)26-12-9-17(10-13-26)22-18-8-11-25(15-18)14-16-4-2-1-3-5-16/h1-7,17-18,22H,8-15H2/t18-/m0/s1
InChIKeyJOKRHKITWXFNOY-SFHVURJKSA-N
XLogP2.96
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
1-benzyl-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 43615007
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
CID 61308788
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752309

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine (CID 95219570) is N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine is Clc1ccc(N2CCC(N[C@H]3CCN(Cc4ccccc4)C3)CC2)nn1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine?
The InChIKey is JOKRHKITWXFNOY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26ClN5/c21-19-6-7-20(24-23-19)26-12-9-17(10-13-26)22-18-8-11-25(15-18)14-16-4-2-1-3-5-16/h1-7,17-18,22H,8-15H2/t18-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine?
N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine has a molecular weight of 371.92 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine is sourced from PubChem (CID 95219570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).