[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone

C19H23N3O2 — CID 1441003

IUPAC[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOc1ccccc1Nc1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O2/c1-2-24-17-11-5-4-10-16(17)21-18-15(9-8-12-20-18)19(23)22-13-6-3-7-14-22/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,20,21)
InChIKeyAPVTYNCYHRMIOF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.85
Rot. Bonds5

About [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone

[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 1441003) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID1441003
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOc1ccccc1Nc1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O2/c1-2-24-17-11-5-4-10-16(17)21-18-15(9-8-12-20-18)19(23)22-13-6-3-7-14-22/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,20,21)
InChIKeyAPVTYNCYHRMIOF-UHFFFAOYSA-N
XLogP3.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.85
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-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 29264109
[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203739
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 134008379
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926917
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 38209532
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119594620
4-[[4-[2-(2-methoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 31111720
[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063762
2-(2-ethoxyanilino)benzoic acid
CID 726510
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 1441003) is [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone is CCOc1ccccc1Nc1ncccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is APVTYNCYHRMIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-24-17-11-5-4-10-16(17)21-18-15(9-8-12-20-18)19(23)22-13-6-3-7-14-22/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,20,21).
What are the key properties of [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 325.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1441003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).