1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide

C20H26N4O2 — CID 134079752

IUPAC1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCCC(C)CNC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C
InChIInChI=1S/C20H26N4O2/c1-6-13(2)12-21-19(25)17-11-16-18(24(17)20(26)22(3)4)14-9-7-8-10-15(14)23(16)5/h7-11,13H,6,12H2,1-5H3,(H,21,25)
InChIKeyWTEZXDJBVDLVBD-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.44
Rot. Bonds4

About 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide

1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide (PubChem CID 134079752) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
PubChem CID134079752
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCCC(C)CNC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C
InChIInChI=1S/C20H26N4O2/c1-6-13(2)12-21-19(25)17-11-16-18(24(17)20(26)22(3)4)14-9-7-8-10-15(14)23(16)5/h7-11,13H,6,12H2,1-5H3,(H,21,25)
InChIKeyWTEZXDJBVDLVBD-UHFFFAOYSA-N
XLogP3.44
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 131659664
2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361407
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361388
N,N,4-trimethyl-2-(2-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
CID 131643767
N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide
CID 97441841
N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361270
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 6622402
3-chloro-N-(4-hydroxy-2-methylpentyl)-1-methylindole-2-carboxamide
CID 111447034
2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
CID 62692096

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide (CID 134079752) is 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide is CCC(C)CNC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide?
The InChIKey is WTEZXDJBVDLVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-6-13(2)12-21-19(25)17-11-16-18(24(17)20(26)22(3)4)14-9-7-8-10-15(14)23(16)5/h7-11,13H,6,12H2,1-5H3,(H,21,25).
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide?
1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide is sourced from PubChem (CID 134079752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).