2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide

C21H23ClN4O3 — CID 58467361

IUPAC2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3cnc4c(c3)OC(=O)C4)[C@H](C)C2)ccc1Cl
InChIInChI=1S/C21H23ClN4O3/c1-13-7-16(3-4-17(13)22)26-6-5-25(14(2)11-26)12-20(27)24-15-8-19-18(23-10-15)9-21(28)29-19/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,24,27)/t14-/m1/s1
InChIKeyYFRYCSYVXKLJLC-CQSZACIVSA-N
MW414.89 g/mol
LogP2.65
Rot. Bonds4

About 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide

2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide (PubChem CID 58467361) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
PubChem CID58467361
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3cnc4c(c3)OC(=O)C4)[C@H](C)C2)ccc1Cl
InChIInChI=1S/C21H23ClN4O3/c1-13-7-16(3-4-17(13)22)26-6-5-25(14(2)11-26)12-20(27)24-15-8-19-18(23-10-15)9-21(28)29-19/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,24,27)/t14-/m1/s1
InChIKeyYFRYCSYVXKLJLC-CQSZACIVSA-N
XLogP2.65
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58467508
2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467666
6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
CID 58467380
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide
CID 58467554
2-[1-(3,4-dichlorophenyl)-4-hydroxypiperidin-4-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58350853
6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
CID 58467384
4-(4-chloro-3-methylphenyl)-2-methylpiperazine-1-carbaldehyde
CID 143766735
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58467769
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
2-[(3R)-4-(4-chloro-3,5-difluorophenyl)-3-methylpiperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467513
2-[(2R)-4-(5-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350736
5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 113321627

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The IUPAC name of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide (CID 58467361) is 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide is Cc1cc(N2CCN(CC(=O)Nc3cnc4c(c3)OC(=O)C4)[C@H](C)C2)ccc1Cl.
What is the InChIKey of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
The InChIKey is YFRYCSYVXKLJLC-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-13-7-16(3-4-17(13)22)26-6-5-25(14(2)11-26)12-20(27)24-15-8-19-18(23-10-15)9-21(28)29-19/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,24,27)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide?
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide has a molecular weight of 414.89 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide is sourced from PubChem (CID 58467361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).