[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C17H18Cl2N4O — CID 109186413

IUPAC[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Nc3cc(Cl)cc(Cl)c3)cn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-22-4-6-23(7-5-22)17(24)16-3-2-14(11-20-16)21-15-9-12(18)8-13(19)10-15/h2-3,8-11,21H,4-7H2,1H3
InChIKeyUKOGEVFPZAGUPN-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.52
Rot. Bonds3

About [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109186413) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109186413
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Nc3cc(Cl)cc(Cl)c3)cn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-22-4-6-23(7-5-22)17(24)16-3-2-14(11-20-16)21-15-9-12(18)8-13(19)10-15/h2-3,8-11,21H,4-7H2,1H3
InChIKeyUKOGEVFPZAGUPN-UHFFFAOYSA-N
XLogP3.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109186368
[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186401
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279150
[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325994
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109187042
[5-(4-chloroanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193844
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187301

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109186413) is [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Nc3cc(Cl)cc(Cl)c3)cn2)CC1.
What is the InChIKey of [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is UKOGEVFPZAGUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-22-4-6-23(7-5-22)17(24)16-3-2-14(11-20-16)21-15-9-12(18)8-13(19)10-15/h2-3,8-11,21H,4-7H2,1H3.
What are the key properties of [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 365.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109186413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).