(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone

C15H23N3O — CID 79180595

IUPAC(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CC(C)C(C)C2)n1
InChIInChI=1S/C15H23N3O/c1-4-8-16-14-7-5-6-13(17-14)15(19)18-9-11(2)12(3)10-18/h5-7,11-12H,4,8-10H2,1-3H3,(H,16,17)
InChIKeySEHTVFCRBGFASU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds4

About (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone

(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone (PubChem CID 79180595) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
PubChem CID79180595
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CC(C)C(C)C2)n1
InChIInChI=1S/C15H23N3O/c1-4-8-16-14-7-5-6-13(17-14)15(19)18-9-11(2)12(3)10-18/h5-7,11-12H,4,8-10H2,1-3H3,(H,16,17)
InChIKeySEHTVFCRBGFASU-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 79181819
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 62232698
(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 81109407
(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62239996
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240932
1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62966972
3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one
CID 63600748
N-(2,6-dimethylpiperidin-1-yl)-6-(propylamino)pyridine-2-carboxamide
CID 83015635
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 65322102
[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 116637902

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone (CID 79180595) is (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone is CCCNc1cccc(C(=O)N2CC(C)C(C)C2)n1.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The InChIKey is SEHTVFCRBGFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-8-16-14-7-5-6-13(17-14)15(19)18-9-11(2)12(3)10-18/h5-7,11-12H,4,8-10H2,1-3H3,(H,16,17).
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 79180595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).