N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide

C31H42N6O2 — CID 162755144

IUPACN-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NC(C)CN(C)C)c2cc2c3cccc(OCCCN4CCN(C)CC4)c3n(C)c12
InChIInChI=1S/C31H42N6O2/c1-21(20-34(3)4)33-31(38)28-25-19-26-24-9-7-10-27(39-18-8-13-37-16-14-35(5)15-17-37)30(24)36(6)29(26)22(2)23(25)11-12-32-28/h7,9-12,19,21H,8,13-18,20H2,1-6H3,(H,33,38)
InChIKeyUUNRMHKJKGHLGJ-UHFFFAOYSA-N
MW530.72 g/mol
LogP3.88
Rot. Bonds9

About N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide

N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 162755144) has the molecular formula C31H42N6O2 and a molecular weight of 530.72 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
PubChem CID162755144
Molecular FormulaC31H42N6O2
Molecular Weight530.72 g/mol
Exact Mass530.34
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NC(C)CN(C)C)c2cc2c3cccc(OCCCN4CCN(C)CC4)c3n(C)c12
InChIInChI=1S/C31H42N6O2/c1-21(20-34(3)4)33-31(38)28-25-19-26-24-9-7-10-27(39-18-8-13-37-16-14-35(5)15-17-37)30(24)36(6)29(26)22(2)23(25)11-12-32-28/h7,9-12,19,21H,8,13-18,20H2,1-6H3,(H,33,38)
InChIKeyUUNRMHKJKGHLGJ-UHFFFAOYSA-N
XLogP3.88
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide (CID 162755144) is N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NC(C)CN(C)C)c2cc2c3cccc(OCCCN4CCN(C)CC4)c3n(C)c12.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is UUNRMHKJKGHLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N6O2/c1-21(20-34(3)4)33-31(38)28-25-19-26-24-9-7-10-27(39-18-8-13-37-16-14-35(5)15-17-37)30(24)36(6)29(26)22(2)23(25)11-12-32-28/h7,9-12,19,21H,8,13-18,20H2,1-6H3,(H,33,38).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[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-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 162755144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).