[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C20H25N3O — CID 109227088

IUPAC[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(Nc2cncc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C20H25N3O/c1-3-16-4-6-18(7-5-16)22-19-12-17(13-21-14-19)20(24)23-10-8-15(2)9-11-23/h4-7,12-15,22H,3,8-11H2,1-2H3
InChIKeyIPVBCMGBYWQEPX-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.26
Rot. Bonds4

About [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109227088) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109227088
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(Nc2cncc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C20H25N3O/c1-3-16-4-6-18(7-5-16)22-19-12-17(13-21-14-19)20(24)23-10-8-15(2)9-11-23/h4-7,12-15,22H,3,8-11H2,1-2H3
InChIKeyIPVBCMGBYWQEPX-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[5-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109227130
(4-methylpiperidin-1-yl)-[5-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109227138
(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109227120
[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227164
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227012
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
N-(4-acetamidophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103264
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
methyl 4-[[5-(4-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109103267
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109240763
N-(4-ethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103251

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109227088) is [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CCc1ccc(Nc2cncc(C(=O)N3CCC(C)CC3)c2)cc1.
What is the InChIKey of [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IPVBCMGBYWQEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-16-4-6-18(7-5-16)22-19-12-17(13-21-14-19)20(24)23-10-8-15(2)9-11-23/h4-7,12-15,22H,3,8-11H2,1-2H3.
What are the key properties of [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109227088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).