[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C18H21N3O2 — CID 109225626

IUPAC[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C)cc1Nc1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H21N3O2/c1-13-5-6-17(23-2)16(9-13)20-15-10-14(11-19-12-15)18(22)21-7-3-4-8-21/h5-6,9-12,20H,3-4,7-8H2,1-2H3
InChIKeyPXEOLJFSSZDDLP-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.38
Rot. Bonds4

About [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109225626) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109225626
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C)cc1Nc1cncc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H21N3O2/c1-13-5-6-17(23-2)16(9-13)20-15-10-14(11-19-12-15)18(22)21-7-3-4-8-21/h5-6,9-12,20H,3-4,7-8H2,1-2H3
InChIKeyPXEOLJFSSZDDLP-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109241222
[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225589
3,4-dihydro-2H-quinolin-1-yl-[5-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109242568
[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250025
piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone
CID 109226421
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
4-[5-(2-methoxyanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230814
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540
[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230137

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109225626) is [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is COc1ccc(C)cc1Nc1cncc(C(=O)N2CCCC2)c1.
What is the InChIKey of [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PXEOLJFSSZDDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-6-17(23-2)16(9-13)20-15-10-14(11-19-12-15)18(22)21-7-3-4-8-21/h5-6,9-12,20H,3-4,7-8H2,1-2H3.
What are the key properties of [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109225626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).