N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide

About N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide

N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 162754873) has the molecular formula C31H42N6O2 and a molecular weight of 530.72 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound Name	N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
PubChem CID	162754873
Molecular Formula	C31H42N6O2
Molecular Weight	530.72 g/mol
Exact Mass	530.34
IUPAC Name	N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
SMILES	Cc1c2ccnc(C(=O)N[C@H](C)CN(C)C)c2cc2c3cc(OCCCN4CCN(C)CC4)ccc3n(C)c12
InChI	InChI=1S/C31H42N6O2/c1-21(20-34(3)4)33-31(38)29-26-19-27-25-18-23(39-17-7-12-37-15-13-35(5)14-16-37)8-9-28(25)36(6)30(27)22(2)24(26)10-11-32-29/h8-11,18-19,21H,7,12-17,20H2,1-6H3,(H,33,38)/t21-/m1/s1
InChIKey	ZVYPELPRZOTIDV-OAQYLSRUSA-N
XLogP	3.88
TPSA	65.87 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.72
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?

The IUPAC name of N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide (CID 162754873) is N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide.

What is the SMILES notation for N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?

The canonical SMILES for N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)N[C@H](C)CN(C)C)c2cc2c3cc(OCCCN4CCN(C)CC4)ccc3n(C)c12.

What is the InChIKey of N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?

The InChIKey is ZVYPELPRZOTIDV-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H42N6O2/c1-21(20-34(3)4)33-31(38)29-26-19-27-25-18-23(39-17-7-12-37-15-13-35(5)14-16-37)8-9-28(25)36(6)30(27)22(2)24(26)10-11-32-29/h8-11,18-19,21H,7,12-17,20H2,1-6H3,(H,33,38)/t21-/m1/s1.

What are the key properties of N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?

N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 530.72 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 162754873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).