N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

C22H28ClN5O2 — CID 20956797

IUPACN-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCCN(CC)Cc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c2c1c(C)nn2C
InChIInChI=1S/C22H28ClN5O2/c1-6-27(7-2)12-16-11-20(30)28(22-21(16)15(4)25-26(22)5)13-19(29)24-18-10-8-9-17(23)14(18)3/h8-11H,6-7,12-13H2,1-5H3,(H,24,29)
InChIKeyWOTFPDNBDCSDLY-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.49
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 20956797) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID20956797
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCCN(CC)Cc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c2c1c(C)nn2C
InChIInChI=1S/C22H28ClN5O2/c1-6-27(7-2)12-16-11-20(30)28(22-21(16)15(4)25-26(22)5)13-19(29)24-18-10-8-9-17(23)14(18)3/h8-11H,6-7,12-13H2,1-5H3,(H,24,29)
InChIKeyWOTFPDNBDCSDLY-UHFFFAOYSA-N
XLogP3.49
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086714
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(2-methoxyphenyl)acetamide
CID 22575831
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 53097803
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
CID 108951094
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50776945
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 20956797) is N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is CCN(CC)Cc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c2c1c(C)nn2C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is WOTFPDNBDCSDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-6-27(7-2)12-16-11-20(30)28(22-21(16)15(4)25-26(22)5)13-19(29)24-18-10-8-9-17(23)14(18)3/h8-11H,6-7,12-13H2,1-5H3,(H,24,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 429.95 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 20956797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).