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

C20H24N4O3 — CID 131659664

IUPAC1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCN(C)C(=O)n1c(C(=O)NCC2CCCO2)cc2c1c1ccccc1n2C
InChIInChI=1S/C20H24N4O3/c1-22(2)20(26)24-17(19(25)21-12-13-7-6-10-27-13)11-16-18(24)14-8-4-5-9-15(14)23(16)3/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3,(H,21,25)
InChIKeyIDSNVAUGHLNLSZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.57
Rot. Bonds3

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

1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide (PubChem CID 131659664) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
PubChem CID131659664
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
SMILESCN(C)C(=O)n1c(C(=O)NCC2CCCO2)cc2c1c1ccccc1n2C
InChIInChI=1S/C20H24N4O3/c1-22(2)20(26)24-17(19(25)21-12-13-7-6-10-27-13)11-16-18(24)14-8-4-5-9-15(14)23(16)3/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3,(H,21,25)
InChIKeyIDSNVAUGHLNLSZ-UHFFFAOYSA-N
XLogP2.57
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide with MolForge

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Related Compounds

4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide
CID 97441774
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2-propylfuran-3-carboxamide
CID 27244468
7-benzyl-1,3-dimethyl-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217363
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327476
[(2S)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] 3-chloro-1-methylindole-2-carboxylate
CID 94829198
[(2R)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 3-chloro-1-methylindole-2-carboxylate
CID 97311522
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide (CID 131659664) is 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide is CN(C)C(=O)n1c(C(=O)NCC2CCCO2)cc2c1c1ccccc1n2C.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide?
The InChIKey is IDSNVAUGHLNLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22(2)20(26)24-17(19(25)21-12-13-7-6-10-27-13)11-16-18(24)14-8-4-5-9-15(14)23(16)3/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3,(H,21,25).
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide?
1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide is sourced from PubChem (CID 131659664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).