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

C20H18N4OS — CID 142953263

IUPACN-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
SMILESCCSc1ccc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C
InChIInChI=1S/C20H18N4OS/c1-3-26-17-7-6-15-14-8-10-21-11-16(14)23-18(15)19(17)24-20(25)13-5-4-9-22-12(13)2/h4-11,23H,3H2,1-2H3,(H,24,25)
InChIKeyUAKMFYDHKXVJDV-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.78
Rot. Bonds4

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

N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide (PubChem CID 142953263) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
PubChem CID142953263
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
SMILESCCSc1ccc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C
InChIInChI=1S/C20H18N4OS/c1-3-26-17-7-6-15-14-8-10-21-11-16(14)23-18(15)19(17)24-20(25)13-5-4-9-22-12(13)2/h4-11,23H,3H2,1-2H3,(H,24,25)
InChIKeyUAKMFYDHKXVJDV-UHFFFAOYSA-N
XLogP4.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[6-chloro-7-[2-(methylamino)ethoxy]-9H-pyrido[3,4-b]indol-8-yl]-2-methylpyridine-3-carboxamide
CID 142953268
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
2-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115629960
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide
CID 21362680
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide
CID 135460578
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
ethane;3-ethylsulfanyl-2-methylpyridine
CID 142913740
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839

Frequently Asked Questions

What is the IUPAC name of N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide (CID 142953263) is N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide is CCSc1ccc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C.
What is the InChIKey of N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is UAKMFYDHKXVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-3-26-17-7-6-15-14-8-10-21-11-16(14)23-18(15)19(17)24-20(25)13-5-4-9-22-12(13)2/h4-11,23H,3H2,1-2H3,(H,24,25).
What are the key properties of N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 142953263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).