N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C20H22ClN5O3 — CID 142953270

IUPACN-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNCCN1CC(C(=O)Nc2c(OC)c(Cl)cc3c2[nH]c2cnccc23)CC1=O
InChIInChI=1S/C20H22ClN5O3/c1-22-5-6-26-10-11(7-16(26)27)20(28)25-18-17-13(8-14(21)19(18)29-2)12-3-4-23-9-15(12)24-17/h3-4,8-9,11,22,24H,5-7,10H2,1-2H3,(H,25,28)
InChIKeySHCAWLTYOZRESG-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.38
Rot. Bonds6

About N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 142953270) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID142953270
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC NameN-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNCCN1CC(C(=O)Nc2c(OC)c(Cl)cc3c2[nH]c2cnccc23)CC1=O
InChIInChI=1S/C20H22ClN5O3/c1-22-5-6-26-10-11(7-16(26)27)20(28)25-18-17-13(8-14(21)19(18)29-2)12-3-4-23-9-15(12)24-17/h3-4,8-9,11,22,24H,5-7,10H2,1-2H3,(H,25,28)
InChIKeySHCAWLTYOZRESG-UHFFFAOYSA-N
XLogP2.38
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide 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

(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184349
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
(3S)-N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51878899
N-(3-chloro-4-methylphenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185059
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
N-(2,4-dimethoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184040
1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082586
N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185480
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183595
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 142953270) is N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CNCCN1CC(C(=O)Nc2c(OC)c(Cl)cc3c2[nH]c2cnccc23)CC1=O.
What is the InChIKey of N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SHCAWLTYOZRESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-22-5-6-26-10-11(7-16(26)27)20(28)25-18-17-13(8-14(21)19(18)29-2)12-3-4-23-9-15(12)24-17/h3-4,8-9,11,22,24H,5-7,10H2,1-2H3,(H,25,28).
What are the key properties of N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142953270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).