[4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C15H22N4O — CID 81241615

IUPAC[4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESCNc1ccncc1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H22N4O/c1-16-14-4-6-17-10-13(14)15(20)19-9-5-12(11-19)18-7-2-3-8-18/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,16,17)
InChIKeyUQGAWPKAKKFJRH-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.43
Rot. Bonds3

About [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

[4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 81241615) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID81241615
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESCNc1ccncc1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H22N4O/c1-16-14-4-6-17-10-13(14)15(20)19-9-5-12(11-19)18-7-2-3-8-18/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,16,17)
InChIKeyUQGAWPKAKKFJRH-UHFFFAOYSA-N
XLogP1.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-chloro-3-pyridinyl)methanone
CID 81226844
(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone
CID 81242899
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 114923470
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 63154830
(4-hydrazinyl-3-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 81248669
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 81236620
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947262

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 81241615) is [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is CNc1ccncc1C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is UQGAWPKAKKFJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-16-14-4-6-17-10-13(14)15(20)19-9-5-12(11-19)18-7-2-3-8-18/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,16,17).
What are the key properties of [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
[4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81241615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).