2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide

C18H19ClN4O2 — CID 170438849

IUPAC2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NCc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C18H19ClN4O2/c1-12-3-2-4-14(19)17(12)18(25)22-10-13-5-6-15(21-9-13)23-8-7-20-16(24)11-23/h2-6,9H,7-8,10-11H2,1H3,(H,20,24)(H,22,25)
InChIKeyAMNQGGRBOIJKRH-UHFFFAOYSA-N
MW358.83 g/mol
LogP1.91
Rot. Bonds4

About 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide

2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 170438849) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID170438849
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NCc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C18H19ClN4O2/c1-12-3-2-4-14(19)17(12)18(25)22-10-13-5-6-15(21-9-13)23-8-7-20-16(24)11-23/h2-6,9H,7-8,10-11H2,1H3,(H,20,24)(H,22,25)
InChIKeyAMNQGGRBOIJKRH-UHFFFAOYSA-N
XLogP1.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047182
4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635959
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 56963428
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78881990
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
4-[5-(hydroxymethyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 80628400
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
1-(2-chlorophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 49160499
4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635677
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368
(E)-3-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80633917
4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide (CID 170438849) is 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide is Cc1cccc(Cl)c1C(=O)NCc1ccc(N2CCNC(=O)C2)nc1.
What is the InChIKey of 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is AMNQGGRBOIJKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-3-2-4-14(19)17(12)18(25)22-10-13-5-6-15(21-9-13)23-8-7-20-16(24)11-23/h2-6,9H,7-8,10-11H2,1H3,(H,20,24)(H,22,25).
What are the key properties of 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide?
2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 358.83 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 170438849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).