[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone

C12H17N3O2 — CID 62173422

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCCC2CO)cn1
InChIInChI=1S/C12H17N3O2/c1-13-11-5-4-9(7-14-11)12(17)15-6-2-3-10(15)8-16/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,13,14)
InChIKeyNVRQMYZAMWLPKB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.72
Rot. Bonds3

About [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone (PubChem CID 62173422) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
PubChem CID62173422
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCCC2CO)cn1
InChIInChI=1S/C12H17N3O2/c1-13-11-5-4-9(7-14-11)12(17)15-6-2-3-10(15)8-16/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,13,14)
InChIKeyNVRQMYZAMWLPKB-UHFFFAOYSA-N
XLogP0.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107375092
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
CID 84570849
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81240172
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 104629891
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone (CID 62173422) is [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone is CNc1ccc(C(=O)N2CCCC2CO)cn1.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone?
The InChIKey is NVRQMYZAMWLPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-11-5-4-9(7-14-11)12(17)15-6-2-3-10(15)8-16/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,13,14).
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone has a molecular weight of 235.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62173422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).