[2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone

C16H16Cl2N4O — CID 119400835

IUPAC[2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccnc1Nc1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H16Cl2N4O/c17-13-4-3-11(10-14(13)18)21-15-12(2-1-5-20-15)16(23)22-8-6-19-7-9-22/h1-5,10,19H,6-9H2,(H,20,21)
InChIKeyKVJOAQFGUSAAMQ-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.18
Rot. Bonds3

About [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone

[2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 119400835) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID119400835
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name[2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccnc1Nc1ccc(Cl)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H16Cl2N4O/c17-13-4-3-11(10-14(13)18)21-15-12(2-1-5-20-15)16(23)22-8-6-19-7-9-22/h1-5,10,19H,6-9H2,(H,20,21)
InChIKeyKVJOAQFGUSAAMQ-UHFFFAOYSA-N
XLogP3.18
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(3,4-dichloroanilino)-3-pyridinyl]methanone;dihydrochloride
CID 120655431
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 119576762
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
sodium 2-[2-(3,4-dichloroanilino)-3-pyridinyl]acetate
CID 67938917
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 23632578
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone (CID 119400835) is [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone is O=C(c1cccnc1Nc1ccc(Cl)c(Cl)c1)N1CCNCC1.
What is the InChIKey of [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is KVJOAQFGUSAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-13-4-3-11(10-14(13)18)21-15-12(2-1-5-20-15)16(23)22-8-6-19-7-9-22/h1-5,10,19H,6-9H2,(H,20,21).
What are the key properties of [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone?
[2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 351.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119400835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).