[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

C15H23N3O — CID 81242822

IUPAC[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCCCNc1cc(C)ncc1C(=O)N1CCC(C)C1
InChIInChI=1S/C15H23N3O/c1-4-6-16-14-8-12(3)17-9-13(14)15(19)18-7-5-11(2)10-18/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyQMPANJXZGZYOKF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds4

About [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 81242822) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID81242822
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCCCNc1cc(C)ncc1C(=O)N1CCC(C)C1
InChIInChI=1S/C15H23N3O/c1-4-6-16-14-8-12(3)17-9-13(14)15(19)18-7-5-11(2)10-18/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyQMPANJXZGZYOKF-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone
CID 81239972
[4-(ethylamino)-6-methyl-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538368
(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81242747
6-methyl-N-(1-methylpyrrolidin-3-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81240249
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81238240
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
CID 81235678
[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 81238498
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
N-(2,2-dimethylcyclopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243069
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (CID 81242822) is [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is CCCNc1cc(C)ncc1C(=O)N1CCC(C)C1.
What is the InChIKey of [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is QMPANJXZGZYOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-6-16-14-8-12(3)17-9-13(14)15(19)18-7-5-11(2)10-18/h8-9,11H,4-7,10H2,1-3H3,(H,16,17).
What are the key properties of [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81242822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).