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

C19H23N3O2 — CID 109204483

IUPAC[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOc1ccccc1Nc1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H23N3O2/c1-2-24-18-9-5-4-8-16(18)21-15-10-11-20-17(14-15)19(23)22-12-6-3-7-13-22/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,20,21)
InChIKeyMFKUVQRPAYQVLP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.85
Rot. Bonds5

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

[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109204483) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109204483
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOc1ccccc1Nc1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H23N3O2/c1-2-24-18-9-5-4-8-16(18)21-15-10-11-20-17(14-15)19(23)22-12-6-3-7-13-22/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,20,21)
InChIKeyMFKUVQRPAYQVLP-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]-pyrrolidin-1-ylmethanone
CID 109203739
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1441003
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
ethyl 2-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109209133
piperidin-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109204521
azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
CID 109212072
azepan-1-yl-[4-(2,4-difluoroanilino)-2-pyridinyl]methanone
CID 109218613
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109204483) is [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone is CCOc1ccccc1Nc1ccnc(C(=O)N2CCCCC2)c1.
What is the InChIKey of [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MFKUVQRPAYQVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-24-18-9-5-4-8-16(18)21-15-10-11-20-17(14-15)19(23)22-12-6-3-7-13-22/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,20,21).
What are the key properties of [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone?
[4-(2-ethoxyanilino)-2-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 [4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109204483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).