[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C13H19N3O2 — CID 62466811

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC2CCCO)cn1
InChIInChI=1S/C13H19N3O2/c1-10-8-15-12(9-14-10)13(18)16-6-2-4-11(16)5-3-7-17/h8-9,11,17H,2-7H2,1H3
InChIKeyPFKLMIBDPORAJB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.16
Rot. Bonds4

About [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 62466811) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID62466811
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC2CCCO)cn1
InChIInChI=1S/C13H19N3O2/c1-10-8-15-12(9-14-10)13(18)16-6-2-4-11(16)5-3-7-17/h8-9,11,17H,2-7H2,1H3
InChIKeyPFKLMIBDPORAJB-UHFFFAOYSA-N
XLogP1.16
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
[5-(ethylamino)-2-pyridinyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 104641130
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076306
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335558
[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70756795
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 62479974
(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95156928
(5-methylpyrazin-2-yl)-[2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 49049637

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 62466811) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCC2CCCO)cn1.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is PFKLMIBDPORAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-15-12(9-14-10)13(18)16-6-2-4-11(16)5-3-7-17/h8-9,11,17H,2-7H2,1H3.
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 62466811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).