1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide

C20H20N4O — CID 97441793

IUPAC1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c(C(=O)NCCc2cccnc2)cc2c1c1ccccc1n2C
InChIInChI=1S/C20H20N4O/c1-23-16-8-4-3-7-15(16)19-17(23)12-18(24(19)2)20(25)22-11-9-14-6-5-10-21-13-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,25)
InChIKeyUGLBZDKNUOIRTJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.04
Rot. Bonds4

About 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide

1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441793) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441793
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c(C(=O)NCCc2cccnc2)cc2c1c1ccccc1n2C
InChIInChI=1S/C20H20N4O/c1-23-16-8-4-3-7-15(16)19-17(23)12-18(24(19)2)20(25)22-11-9-14-6-5-10-21-13-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,25)
InChIKeyUGLBZDKNUOIRTJ-UHFFFAOYSA-N
XLogP3.04
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
1-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857406
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 60914798
4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441976
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330467
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
1-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155838473
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
2-fluoro-4-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104928329
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide (CID 97441793) is 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide is Cn1c(C(=O)NCCc2cccnc2)cc2c1c1ccccc1n2C.
What is the InChIKey of 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is UGLBZDKNUOIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-23-16-8-4-3-7-15(16)19-17(23)12-18(24(19)2)20(25)22-11-9-14-6-5-10-21-13-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,25).
What are the key properties of 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide?
1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).