[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone

C14H21N3O — CID 113378946

IUPAC[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCCNc1cc(C(=O)N2CCCC2)cc(C)n1
InChIInChI=1S/C14H21N3O/c1-3-6-15-13-10-12(9-11(2)16-13)14(18)17-7-4-5-8-17/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyWAWIWQARBSBMEY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds4

About [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 113378946) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID113378946
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCCNc1cc(C(=O)N2CCCC2)cc(C)n1
InChIInChI=1S/C14H21N3O/c1-3-6-15-13-10-12(9-11(2)16-13)14(18)17-7-4-5-8-17/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyWAWIWQARBSBMEY-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone
CID 102964734
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969355
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114767931
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 113378982
(2-hydrazinyl-6-methyl-4-pyridinyl)-morpholin-4-ylmethanone
CID 70843948
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
(3-ethoxypiperidin-1-yl)-(2-hydrazinyl-6-methyl-4-pyridinyl)methanone
CID 113379218
[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681717

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 113378946) is [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone is CCCNc1cc(C(=O)N2CCCC2)cc(C)n1.
What is the InChIKey of [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WAWIWQARBSBMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-6-15-13-10-12(9-11(2)16-13)14(18)17-7-4-5-8-17/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 113378946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).