1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide

C17H13N3O — CID 19367636

IUPAC1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide
SMILESCC1=c2c(cc3c(c2C)N=c2ccccc2=3)N=C1C(N)=O
InChIInChI=1S/C17H13N3O/c1-8-14-9(2)16(17(18)21)20-13(14)7-11-10-5-3-4-6-12(10)19-15(8)11/h3-7H,1-2H3,(H2,18,21)
InChIKeyPMPFEKQJGNQZKI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.29
Rot. Bonds1

About 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide

1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide (PubChem CID 19367636) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide.

Molecular Properties

Compound Name1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide
PubChem CID19367636
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide
SMILESCC1=c2c(cc3c(c2C)N=c2ccccc2=3)N=C1C(N)=O
InChIInChI=1S/C17H13N3O/c1-8-14-9(2)16(17(18)21)20-13(14)7-11-10-5-3-4-6-12(10)19-15(8)11/h3-7H,1-2H3,(H2,18,21)
InChIKeyPMPFEKQJGNQZKI-UHFFFAOYSA-N
XLogP1.29
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide?
The IUPAC name of 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide (CID 19367636) is 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide.
What is the SMILES notation for 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide?
The canonical SMILES for 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide is CC1=c2c(cc3c(c2C)N=c2ccccc2=3)N=C1C(N)=O.
What is the InChIKey of 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide?
The InChIKey is PMPFEKQJGNQZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-8-14-9(2)16(17(18)21)20-13(14)7-11-10-5-3-4-6-12(10)19-15(8)11/h3-7H,1-2H3,(H2,18,21).
What are the key properties of 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide?
1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxamide is sourced from PubChem (CID 19367636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).