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

C18H12ClFN4O — CID 11337193

IUPACN-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1c(F)c(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C18H12ClFN4O/c1-9-10(3-2-5-22-9)18(25)24-17-15(20)13(19)7-12-11-4-6-21-8-14(11)23-16(12)17/h2-8,23H,1H3,(H,24,25)
InChIKeyILCVYWBYVFZKLQ-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.46
Rot. Bonds2

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

N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide (PubChem CID 11337193) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
PubChem CID11337193
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC NameN-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1c(F)c(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C18H12ClFN4O/c1-9-10(3-2-5-22-9)18(25)24-17-15(20)13(19)7-12-11-4-6-21-8-14(11)23-16(12)17/h2-8,23H,1H3,(H,24,25)
InChIKeyILCVYWBYVFZKLQ-UHFFFAOYSA-N
XLogP4.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide (CID 11337193) is N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1c(F)c(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is ILCVYWBYVFZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c1-9-10(3-2-5-22-9)18(25)24-17-15(20)13(19)7-12-11-4-6-21-8-14(11)23-16(12)17/h2-8,23H,1H3,(H,24,25).
What are the key properties of N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide?
N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 354.77 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-7-fluoro-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 11337193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).