N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide

C21H20ClN5O2 — CID 142953268

IUPACN-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide
SMILESCNCCOc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C
InChIInChI=1S/C21H20ClN5O2/c1-12-13(4-3-6-25-12)21(28)27-19-18-15(14-5-7-24-11-17(14)26-18)10-16(22)20(19)29-9-8-23-2/h3-7,10-11,23,26H,8-9H2,1-2H3,(H,27,28)
InChIKeyWWOCTCAYKSAUGS-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.92
Rot. Bonds6

About N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide

N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide (PubChem CID 142953268) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide
PubChem CID142953268
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC NameN-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide
SMILESCNCCOc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C
InChIInChI=1S/C21H20ClN5O2/c1-12-13(4-3-6-25-12)21(28)27-19-18-15(14-5-7-24-11-17(14)26-18)10-16(22)20(19)29-9-8-23-2/h3-7,10-11,23,26H,8-9H2,1-2H3,(H,27,28)
InChIKeyWWOCTCAYKSAUGS-UHFFFAOYSA-N
XLogP3.92
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
CID 11361077
N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
CID 142953263
N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 142953270
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103867736
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
5-chloro-2-(methylamino)-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923981
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
2-amino-5-chloro-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923980
2-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115629960
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide (CID 142953268) is N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide is CNCCOc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C.
What is the InChIKey of N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is WWOCTCAYKSAUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-12-13(4-3-6-25-12)21(28)27-19-18-15(14-5-7-24-11-17(14)26-18)10-16(22)20(19)29-9-8-23-2/h3-7,10-11,23,26H,8-9H2,1-2H3,(H,27,28).
What are the key properties of N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide?
N-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 3.92, 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-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 142953268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).