(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride

C15H24Cl2N4O — CID 119999249

IUPAC(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)N2CCC(N3CCCCC3)C2)n1
InChIInChI=1S/C15H22N4O.2ClH/c16-14-6-4-5-13(17-14)15(20)19-10-7-12(11-19)18-8-2-1-3-9-18;;/h4-6,12H,1-3,7-11H2,(H2,16,17);2*1H
InChIKeyDKLHDSKJGLRTFX-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.21
Rot. Bonds2

About (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride

(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride (PubChem CID 119999249) has the molecular formula C15H24Cl2N4O and a molecular weight of 347.29 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
PubChem CID119999249
Molecular FormulaC15H24Cl2N4O
Molecular Weight347.29 g/mol
Exact Mass346.13
IUPAC Name(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)N2CCC(N3CCCCC3)C2)n1
InChIInChI=1S/C15H22N4O.2ClH/c16-14-6-4-5-13(17-14)15(20)19-10-7-12(11-19)18-8-2-1-3-9-18;;/h4-6,12H,1-3,7-11H2,(H2,16,17);2*1H
InChIKeyDKLHDSKJGLRTFX-UHFFFAOYSA-N
XLogP2.21
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63175300
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113418713
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119999097
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
CID 94908396
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The IUPAC name of (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride (CID 119999249) is (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)N2CCC(N3CCCCC3)C2)n1.
What is the InChIKey of (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride?
The InChIKey is DKLHDSKJGLRTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.2ClH/c16-14-6-4-5-13(17-14)15(20)19-10-7-12(11-19)18-8-2-1-3-9-18;;/h4-6,12H,1-3,7-11H2,(H2,16,17);2*1H.
What are the key properties of (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride?
(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119999249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).