1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide

C18H22N4O2 — CID 97441822

IUPAC1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCC(C)NC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C
InChIInChI=1S/C18H22N4O2/c1-11(2)19-17(23)15-10-14-16(22(15)18(24)20(3)4)12-8-6-7-9-13(12)21(14)5/h6-11H,1-5H3,(H,19,23)
InChIKeyIETKOJMZSCVISK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.80
Rot. Bonds2

About 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide

1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide (PubChem CID 97441822) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
PubChem CID97441822
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCC(C)NC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C
InChIInChI=1S/C18H22N4O2/c1-11(2)19-17(23)15-10-14-16(22(15)18(24)20(3)4)12-8-6-7-9-13(12)21(14)5/h6-11H,1-5H3,(H,19,23)
InChIKeyIETKOJMZSCVISK-UHFFFAOYSA-N
XLogP2.80
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 134079752
2-N-(3-methoxyphenyl)-1-N,1-N,4-trimethylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441838
1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 131659664
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
2-N-(3-methoxypropyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361407
2-N-(4-fluorophenyl)-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361390
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethyl-4-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97361388
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441819
N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361270

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide (CID 97441822) is 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide is CC(C)NC(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
The InChIKey is IETKOJMZSCVISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)19-17(23)15-10-14-16(22(15)18(24)20(3)4)12-8-6-7-9-13(12)21(14)5/h6-11H,1-5H3,(H,19,23).
What are the key properties of 1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide?
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.80, 2 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-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide is sourced from PubChem (CID 97441822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).