(2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone

C15H23N3O2 — CID 103538399

IUPAC(2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(N)nc(C(C)(C)C)c2)C1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)12-7-10(8-13(16)17-12)14(19)18-6-5-11(9-18)20-4/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyGSDZBJQKIOSMHO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.82
Rot. Bonds2

About (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone

(2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 103538399) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID103538399
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(N)nc(C(C)(C)C)c2)C1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)12-7-10(8-13(16)17-12)14(19)18-6-5-11(9-18)20-4/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyGSDZBJQKIOSMHO-UHFFFAOYSA-N
XLogP1.82
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butyl-6-chloro-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532700
(2-tert-butyl-6-chloro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678233
2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonamide
CID 103540992
(2-amino-6-chloro-4-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103538513
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonyl chloride
CID 103540871
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537023
[4-(3-hydroxy-3-methylbutyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 70781727
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
[4-amino-2-(trifluoromethyl)phenyl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 164558687

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone (CID 103538399) is (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2cc(N)nc(C(C)(C)C)c2)C1.
What is the InChIKey of (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is GSDZBJQKIOSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)12-7-10(8-13(16)17-12)14(19)18-6-5-11(9-18)20-4/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17).
What are the key properties of (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone?
(2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-tert-butyl-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103538399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).