(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone

C15H22N4O — CID 95026394

IUPAC(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1
InChIInChI=1S/C15H22N4O/c16-14-5-4-12(10-17-14)15(20)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11H2,(H2,16,17)/t13-/m1/s1
InChIKeyXMFJYWYBAIZOBB-CYBMUJFWSA-N
MW274.37 g/mol
LogP1.36
Rot. Bonds2

About (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone

(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 95026394) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID95026394
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1
InChIInChI=1S/C15H22N4O/c16-14-5-4-12(10-17-14)15(20)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11H2,(H2,16,17)/t13-/m1/s1
InChIKeyXMFJYWYBAIZOBB-CYBMUJFWSA-N
XLogP1.36
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-amino-3-pyridinyl)methanone
CID 55037357
(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63524427
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
(6-aminopyridazin-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63175300
1-(6-aminopyridine-3-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxylic acid
CID 86284034
(4-amino-3-hydroxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107075245
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(6-fluoro-3-pyridinyl)methanone
CID 63980337
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
(2-hydrazinyl-4-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63174678

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone (CID 95026394) is (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone is Nc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is XMFJYWYBAIZOBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O/c16-14-5-4-12(10-17-14)15(20)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11H2,(H2,16,17)/t13-/m1/s1.
What are the key properties of (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95026394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).