N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide

C31H42N6O2 — CID 170937140

IUPACN-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NC(C)CN(C)C)c2cc2c3ccc(OCCCN4CCN(C)CC4)cc3n(C)c12
InChIInChI=1S/C31H42N6O2/c1-21(20-34(3)4)33-31(38)29-26-19-27-25-9-8-23(39-17-7-12-37-15-13-35(5)14-16-37)18-28(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)
InChIKeyJXVGAOSIWCECIX-UHFFFAOYSA-N
MW530.72 g/mol
LogP3.88
Rot. Bonds9

About N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide

N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 170937140) 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-8-[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-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
PubChem CID170937140
Molecular FormulaC31H42N6O2
Molecular Weight530.72 g/mol
Exact Mass530.34
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NC(C)CN(C)C)c2cc2c3ccc(OCCCN4CCN(C)CC4)cc3n(C)c12
InChIInChI=1S/C31H42N6O2/c1-21(20-34(3)4)33-31(38)29-26-19-27-25-9-8-23(39-17-7-12-37-15-13-35(5)14-16-37)18-28(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)
InChIKeyJXVGAOSIWCECIX-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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Related Compounds

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
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
4-[2-(5,6-dimethylpyrido[4,3-b]carbazol-8-yl)oxyethyl]morpholine
CID 162755206
N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide
CID 70151143
benzyl 4-[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxycarbonyloxybutanoate
CID 10841232
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide
CID 15389009
benzyl 3-[[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxycarbonylamino]propanoate
CID 10507481
6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-4-carbaldehyde
CID 165399853
9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162754930
N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755186
N-[2-[4,4-difluoro-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-4-carboxamide
CID 177064082
[5-(4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamic acid
CID 90034971

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[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-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide (CID 170937140) is N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[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-8-[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-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NC(C)CN(C)C)c2cc2c3ccc(OCCCN4CCN(C)CC4)cc3n(C)c12.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is JXVGAOSIWCECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N6O2/c1-21(20-34(3)4)33-31(38)29-26-19-27-25-9-8-23(39-17-7-12-37-15-13-35(5)14-16-37)18-28(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).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[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-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 170937140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).