N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride

C19H19Cl3N4O2 — CID 11683670

IUPACN-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(n(C)c12)CCNC3.Cl
InChIInChI=1S/C19H18Cl2N4O2.ClH/c1-25-14-5-6-22-7-11(14)16-10(3-4-15(27-2)18(16)25)19(26)24-17-12(20)8-23-9-13(17)21;/h3-4,8-9,22H,5-7H2,1-2H3,(H,23,24,26);1H
InChIKeyZRQOXYUJHUPNRT-UHFFFAOYSA-N
MW441.75 g/mol
LogP4.21
Rot. Bonds3

About N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride

N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride (PubChem CID 11683670) has the molecular formula C19H19Cl3N4O2 and a molecular weight of 441.75 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride
PubChem CID11683670
Molecular FormulaC19H19Cl3N4O2
Molecular Weight441.75 g/mol
Exact Mass440.06
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(n(C)c12)CCNC3.Cl
InChIInChI=1S/C19H18Cl2N4O2.ClH/c1-25-14-5-6-22-7-11(14)16-10(3-4-15(27-2)18(16)25)19(26)24-17-12(20)8-23-9-13(17)21;/h3-4,8-9,22H,5-7H2,1-2H3,(H,23,24,26);1H
InChIKeyZRQOXYUJHUPNRT-UHFFFAOYSA-N
XLogP4.21
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.75
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide
CID 11546231
N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide
CID 11156433
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
ethyl 5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
CID 58001400
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-phenyl-1-benzofuran-4-carboxamide
CID 22733967
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82495192
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide
CID 22663247
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-6-(oxolan-3-yloxy)pyridine-2-carboxamide
CID 23204546

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride (CID 11683670) is N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(n(C)c12)CCNC3.Cl.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride?
The InChIKey is ZRQOXYUJHUPNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2.ClH/c1-25-14-5-6-22-7-11(14)16-10(3-4-15(27-2)18(16)25)19(26)24-17-12(20)8-23-9-13(17)21;/h3-4,8-9,22H,5-7H2,1-2H3,(H,23,24,26);1H.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride?
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride has a molecular weight of 441.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride is sourced from PubChem (CID 11683670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).