[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone

C17H17Cl2N3O — CID 109226426

IUPAC[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(Nc2ccc(Cl)c(Cl)c2)c1)N1CCCCC1
InChIInChI=1S/C17H17Cl2N3O/c18-15-5-4-13(9-16(15)19)21-14-8-12(10-20-11-14)17(23)22-6-2-1-3-7-22/h4-5,8-11,21H,1-3,6-7H2
InChIKeyOMEMVCYZXHOQHJ-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.76
Rot. Bonds3

About [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109226426) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109226426
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(Nc2ccc(Cl)c(Cl)c2)c1)N1CCCCC1
InChIInChI=1S/C17H17Cl2N3O/c18-15-5-4-13(9-16(15)19)21-14-8-12(10-20-11-14)17(23)22-6-2-1-3-7-22/h4-5,8-11,21H,1-3,6-7H2
InChIKeyOMEMVCYZXHOQHJ-UHFFFAOYSA-N
XLogP4.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250070
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656
methyl 3-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]-4-chlorobenzoate
CID 109241274
4-[5-(3-chloro-4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230809
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 109226426) is [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cncc(Nc2ccc(Cl)c(Cl)c2)c1)N1CCCCC1.
What is the InChIKey of [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is OMEMVCYZXHOQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-15-5-4-13(9-16(15)19)21-14-8-12(10-20-11-14)17(23)22-6-2-1-3-7-22/h4-5,8-11,21H,1-3,6-7H2.
What are the key properties of [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 350.25 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109226426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).