(6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone

C13H19N3O2 — CID 155688373

IUPAC(6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)Oc1nc(N)ccc1C(=O)N1CCCC1
InChIInChI=1S/C13H19N3O2/c1-9(2)18-12-10(5-6-11(14)15-12)13(17)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,15)
InChIKeyZKYDBPMKXJEPIP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds3

About (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone

(6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 155688373) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID155688373
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)Oc1nc(N)ccc1C(=O)N1CCCC1
InChIInChI=1S/C13H19N3O2/c1-9(2)18-12-10(5-6-11(14)15-12)13(17)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,15)
InChIKeyZKYDBPMKXJEPIP-UHFFFAOYSA-N
XLogP1.69
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 134507879
2-(piperidine-1-carbonyl)-5-propan-2-yloxybenzamide
CID 68835377
[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 83571284
azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone
CID 154789120
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
CID 82267421
(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
CID 117213585
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone (CID 155688373) is (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone is CC(C)Oc1nc(N)ccc1C(=O)N1CCCC1.
What is the InChIKey of (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is ZKYDBPMKXJEPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)18-12-10(5-6-11(14)15-12)13(17)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,15).
What are the key properties of (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone?
(6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 249.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-propan-2-yloxy-3-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155688373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).