N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride

C23H25ClN4O — CID 166760645

IUPACN-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C(=O)NCCN(C)C)cc3c2[nH]c2ccccc23)cc1.Cl
InChIInChI=1S/C23H24N4O.ClH/c1-15-8-10-16(11-9-15)21-22-18(17-6-4-5-7-19(17)25-22)14-20(26-21)23(28)24-12-13-27(2)3;/h4-11,14,25H,12-13H2,1-3H3,(H,24,28);1H
InChIKeyQLCVMLLWXPBKJW-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride (PubChem CID 166760645) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
PubChem CID166760645
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C(=O)NCCN(C)C)cc3c2[nH]c2ccccc23)cc1.Cl
InChIInChI=1S/C23H24N4O.ClH/c1-15-8-10-16(11-9-15)21-22-18(17-6-4-5-7-19(17)25-22)14-20(26-21)23(28)24-12-13-27(2)3;/h4-11,14,25H,12-13H2,1-3H3,(H,24,28);1H
InChIKeyQLCVMLLWXPBKJW-UHFFFAOYSA-N
XLogP4.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride (CID 166760645) is N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride is Cc1ccc(-c2nc(C(=O)NCCN(C)C)cc3c2[nH]c2ccccc23)cc1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?
The InChIKey is QLCVMLLWXPBKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.ClH/c1-15-8-10-16(11-9-15)21-22-18(17-6-4-5-7-19(17)25-22)14-20(26-21)23(28)24-12-13-27(2)3;/h4-11,14,25H,12-13H2,1-3H3,(H,24,28);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 166760645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).