[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C18H21N3O2 — CID 109203739

IUPAC[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccccc1Nc1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H21N3O2/c1-2-23-17-8-4-3-7-15(17)20-14-9-10-19-16(13-14)18(22)21-11-5-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,19,20)
InChIKeyUCTFDJMGCRAWES-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.46
Rot. Bonds5

About [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109203739) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109203739
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccccc1Nc1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H21N3O2/c1-2-23-17-8-4-3-7-15(17)20-14-9-10-19-16(13-14)18(22)21-11-5-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,19,20)
InChIKeyUCTFDJMGCRAWES-UHFFFAOYSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204483
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
ethyl 2-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109209133
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1441003
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194157
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208518
piperidin-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109204521

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109203739) is [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is CCOc1ccccc1Nc1ccnc(C(=O)N2CCCC2)c1.
What is the InChIKey of [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is UCTFDJMGCRAWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-23-17-8-4-3-7-15(17)20-14-9-10-19-16(13-14)18(22)21-11-5-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,19,20).
What are the key properties of [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109203739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).