[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C17H19N3O2 — CID 83571284

IUPAC[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCC3)c(N)n2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-13-6-4-12(5-7-13)15-9-8-14(16(18)19-15)17(21)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H2,18,19)
InChIKeyPHURJPQJLWPRHK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.58
Rot. Bonds3

About [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 83571284) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID83571284
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCC3)c(N)n2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-13-6-4-12(5-7-13)15-9-8-14(16(18)19-15)17(21)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H2,18,19)
InChIKeyPHURJPQJLWPRHK-UHFFFAOYSA-N
XLogP2.58
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097957
6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
CID 1111010
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 23744160
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 4293558
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 83571284) is [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2ccc(C(=O)N3CCCC3)c(N)n2)cc1.
What is the InChIKey of [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PHURJPQJLWPRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-13-6-4-12(5-7-13)15-9-8-14(16(18)19-15)17(21)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H2,18,19).
What are the key properties of [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 83571284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).