[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C18H21N3O — CID 109225589

IUPAC[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)c(C)c1
InChIInChI=1S/C18H21N3O/c1-13-5-6-17(14(2)9-13)20-16-10-15(11-19-12-16)18(22)21-7-3-4-8-21/h5-6,9-12,20H,3-4,7-8H2,1-2H3
InChIKeyXINQBYNCUFZUFX-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.68
Rot. Bonds3

About [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109225589) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109225589
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)c(C)c1
InChIInChI=1S/C18H21N3O/c1-13-5-6-17(14(2)9-13)20-16-10-15(11-19-12-16)18(22)21-7-3-4-8-21/h5-6,9-12,20H,3-4,7-8H2,1-2H3
InChIKeyXINQBYNCUFZUFX-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230137
azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109241222
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109225681
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
morpholin-4-yl-[5-(2,4,6-trimethylanilino)-3-pyridinyl]methanone
CID 109228463
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
methyl 3-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]-4-chlorobenzoate
CID 109241274
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109225589) is [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XINQBYNCUFZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-5-6-17(14(2)9-13)20-16-10-15(11-19-12-16)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-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 295.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109225589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).