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

C18H19Cl2N3O — CID 109227164

IUPAC[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cncc(Nc3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C18H19Cl2N3O/c1-12-2-4-23(5-3-12)18(24)13-6-17(11-21-10-13)22-16-8-14(19)7-15(20)9-16/h6-12,22H,2-5H2,1H3
InChIKeyYCEYSJNRUFPHKI-UHFFFAOYSA-N
MW364.28 g/mol
LogP5.00
Rot. Bonds3

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

[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109227164) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109227164
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cncc(Nc3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C18H19Cl2N3O/c1-12-2-4-23(5-3-12)18(24)13-6-17(11-21-10-13)22-16-8-14(19)7-15(20)9-16/h6-12,22H,2-5H2,1H3
InChIKeyYCEYSJNRUFPHKI-UHFFFAOYSA-N
XLogP5.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 55.00
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-[5-(3,5-dichloroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230853
[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227088
(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
N-(4-chlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103238
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
[5-(3,5-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275170
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
N-(3,5-dichlorophenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044981
N-(3,4-dichlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103278
N-cyclopentyl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109226052

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109227164) is [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cncc(Nc3cc(Cl)cc(Cl)c3)c2)CC1.
What is the InChIKey of [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YCEYSJNRUFPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-12-2-4-23(5-3-12)18(24)13-6-17(11-21-10-13)22-16-8-14(19)7-15(20)9-16/h6-12,22H,2-5H2,1H3.
What are the key properties of [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 364.28 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109227164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).