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

C19H15ClN4OS — CID 11361077

IUPACN-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
SMILESCSc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C
InChIInChI=1S/C19H15ClN4OS/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
InChIKeyATXHUFABJPSLOJ-UHFFFAOYSA-N
MW382.88 g/mol
LogP5.05
Rot. Bonds3

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

N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide (PubChem CID 11361077) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
PubChem CID11361077
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC NameN-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
SMILESCSc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C
InChIInChI=1S/C19H15ClN4OS/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
InChIKeyATXHUFABJPSLOJ-UHFFFAOYSA-N
XLogP5.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.88
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide (CID 11361077) is N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide is CSc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C.
What is the InChIKey of N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is ATXHUFABJPSLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25).
What are the key properties of N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 382.88 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-7-methylsulfanyl-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 11361077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).