6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide

C18H18Cl2N4O2 — CID 109155174

IUPAC6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cn2)CC1
InChIInChI=1S/C18H18Cl2N4O2/c1-12(25)23-7-9-24(10-8-23)16-6-5-13(11-21-16)18(26)22-17-14(19)3-2-4-15(17)20/h2-6,11H,7-10H2,1H3,(H,22,26)
InChIKeyDPIQBQPMIOXJEF-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.31
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 109155174) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
PubChem CID109155174
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cn2)CC1
InChIInChI=1S/C18H18Cl2N4O2/c1-12(25)23-7-9-24(10-8-23)16-6-5-13(11-21-16)18(26)22-17-14(19)3-2-4-15(17)20/h2-6,11H,7-10H2,1H3,(H,22,26)
InChIKeyDPIQBQPMIOXJEF-UHFFFAOYSA-N
XLogP3.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 16730301
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154591
N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249509
N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154974
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109155083
1-[4-[3-(2,6-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946986

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide (CID 109155174) is 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is DPIQBQPMIOXJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-12(25)23-7-9-24(10-8-23)16-6-5-13(11-21-16)18(26)22-17-14(19)3-2-4-15(17)20/h2-6,11H,7-10H2,1H3,(H,22,26).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109155174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).