N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide

C23H23N5O — CID 172718111

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3nccc4c3[nH]c3ccccc34)cc2)CC1
InChIInChI=1S/C23H23N5O/c1-27-12-14-28(15-13-27)17-8-6-16(7-9-17)25-23(29)22-21-19(10-11-24-22)18-4-2-3-5-20(18)26-21/h2-11,26H,12-15H2,1H3,(H,25,29)
InChIKeyGDFMIABKMUGQDA-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.72
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 172718111) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID172718111
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3nccc4c3[nH]c3ccccc34)cc2)CC1
InChIInChI=1S/C23H23N5O/c1-27-12-14-28(15-13-27)17-8-6-16(7-9-17)25-23(29)22-21-19(10-11-24-22)18-4-2-3-5-20(18)26-21/h2-11,26H,12-15H2,1H3,(H,25,29)
InChIKeyGDFMIABKMUGQDA-UHFFFAOYSA-N
XLogP3.72
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 135308471
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 176904789
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113209051
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459
N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
CID 44515355
N-[4-methyl-3-[[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]carbamoyl]phenyl]quinoline-4-carboxamide
CID 59381895

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide (CID 172718111) is N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide is CN1CCN(c2ccc(NC(=O)c3nccc4c3[nH]c3ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is GDFMIABKMUGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27-12-14-28(15-13-27)17-8-6-16(7-9-17)25-23(29)22-21-19(10-11-24-22)18-4-2-3-5-20(18)26-21/h2-11,26H,12-15H2,1H3,(H,25,29).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 172718111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).