[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone

C14H21N3O2 — CID 62479974

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C14H21N3O2/c1-15-11-6-7-16-13(10-11)14(19)17-8-2-4-12(17)5-3-9-18/h6-7,10,12,18H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyOIUQBKXYUMIXHY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds5

About [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone (PubChem CID 62479974) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
PubChem CID62479974
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccnc(C(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C14H21N3O2/c1-15-11-6-7-16-13(10-11)14(19)17-8-2-4-12(17)5-3-9-18/h6-7,10,12,18H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyOIUQBKXYUMIXHY-UHFFFAOYSA-N
XLogP1.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62175903
[5-(ethylamino)-2-pyridinyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 104641130
(2-bromo-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933017
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
(2-amino-3-fluoro-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 105386020
furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468240
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62660396
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119650832

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone (CID 62479974) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone is CNc1ccnc(C(=O)N2CCCC2CCCO)c1.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The InChIKey is OIUQBKXYUMIXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-11-6-7-16-13(10-11)14(19)17-8-2-4-12(17)5-3-9-18/h6-7,10,12,18H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 62479974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).