[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride

C14H23Cl2N5O — CID 119879739

IUPAC[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C([C@@H]1CCCN1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C14H21N5O.2ClH/c20-14(12-3-1-7-15-12)19-9-5-11(6-10-19)17-13-4-2-8-16-18-13;;/h2,4,8,11-12,15H,1,3,5-7,9-10H2,(H,17,18);2*1H/t12-;;/m0../s1
InChIKeyBDXAKRKXNKZRKS-LTCKWSDVSA-N
MW348.28 g/mol
LogP1.48
Rot. Bonds3

About [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride

[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride (PubChem CID 119879739) has the molecular formula C14H23Cl2N5O and a molecular weight of 348.28 g/mol. Its IUPAC name is [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
PubChem CID119879739
Molecular FormulaC14H23Cl2N5O
Molecular Weight348.28 g/mol
Exact Mass347.13
IUPAC Name[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C([C@@H]1CCCN1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C14H21N5O.2ClH/c20-14(12-3-1-7-15-12)19-9-5-11(6-10-19)17-13-4-2-8-16-18-13;;/h2,4,8,11-12,15H,1,3,5-7,9-10H2,(H,17,18);2*1H/t12-;;/m0../s1
InChIKeyBDXAKRKXNKZRKS-LTCKWSDVSA-N
XLogP1.48
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride
CID 120954788
(2R)-N-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 104901521
(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95601738
N-pyridazin-3-ylazepane-2-carboxamide
CID 116786808
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95312317
N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119276101
N-cyclopentylpyridazin-3-amine
CID 62482227
N-pyridazin-3-ylazepan-4-amine
CID 107173783
2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95350486
2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 122084290

Frequently Asked Questions

What is the IUPAC name of [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The IUPAC name of [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride (CID 119879739) is [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride is Cl.Cl.O=C([C@@H]1CCCN1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The InChIKey is BDXAKRKXNKZRKS-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H21N5O.2ClH/c20-14(12-3-1-7-15-12)19-9-5-11(6-10-19)17-13-4-2-8-16-18-13;;/h2,4,8,11-12,15H,1,3,5-7,9-10H2,(H,17,18);2*1H/t12-;;/m0../s1.
What are the key properties of [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride has a molecular weight of 348.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 119879739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).