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

C14H21N3O2 — CID 81239972

IUPAC(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1cc(C)ncc1C(=O)N1CCC(O)C1
InChIInChI=1S/C14H21N3O2/c1-3-5-15-13-7-10(2)16-8-12(13)14(19)17-6-4-11(18)9-17/h7-8,11,18H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyVEZFOUFMAGZLET-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds4

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

(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81239972) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone
PubChem CID81239972
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1cc(C)ncc1C(=O)N1CCC(O)C1
InChIInChI=1S/C14H21N3O2/c1-3-5-15-13-7-10(2)16-8-12(13)14(19)17-6-4-11(18)9-17/h7-8,11,18H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyVEZFOUFMAGZLET-UHFFFAOYSA-N
XLogP1.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 81242822
[4-(ethylamino)-6-methyl-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538368
6-methyl-N-(1-methylpyrrolidin-3-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81240249
[3-fluoro-2-(propylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 105386116
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81238240
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-(ethylamino)-6-methyl-3-pyridinyl]methanone
CID 81237982
[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
(3,4-dihydroxypyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 106673912
N-(2,2-dimethylcyclopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243069
(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81249245
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone (CID 81239972) is (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone is CCCNc1cc(C)ncc1C(=O)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is VEZFOUFMAGZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-5-15-13-7-10(2)16-8-12(13)14(19)17-6-4-11(18)9-17/h7-8,11,18H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone?
(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81239972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).