5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide

C18H18Cl2N4O2 — CID 133324791

IUPAC5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4O2/c19-14-3-1-2-12(8-14)9-16(25)23-4-6-24(7-5-23)18-15(20)10-13(11-22-18)17(21)26/h1-3,8,10-11H,4-7,9H2,(H2,21,26)
InChIKeyIBSREFDCLVENSG-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.38
Rot. Bonds4

About 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133324791) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133324791
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4O2/c19-14-3-1-2-12(8-14)9-16(25)23-4-6-24(7-5-23)18-15(20)10-13(11-22-18)17(21)26/h1-3,8,10-11H,4-7,9H2,(H2,21,26)
InChIKeyIBSREFDCLVENSG-UHFFFAOYSA-N
XLogP2.38
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119844349
2-(3-chlorophenyl)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 133324787
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011840
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
CID 110750504
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133499734
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 25176419
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133293875

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide (CID 133324791) is 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is IBSREFDCLVENSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c19-14-3-1-2-12(8-14)9-16(25)23-4-6-24(7-5-23)18-15(20)10-13(11-22-18)17(21)26/h1-3,8,10-11H,4-7,9H2,(H2,21,26).
What are the key properties of 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133324791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).