1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride

C11H15Cl2N3O — CID 175120129

IUPAC1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride
SMILESCc1ccc2c(n1)c(C)c(C(N)=O)n2C.Cl.Cl
InChIInChI=1S/C11H13N3O.2ClH/c1-6-4-5-8-9(13-6)7(2)10(11(12)15)14(8)3;;/h4-5H,1-3H3,(H2,12,15);2*1H
InChIKeyPDBWVQKSPHOODI-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.13
Rot. Bonds1

About 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride

1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride (PubChem CID 175120129) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride
PubChem CID175120129
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride
SMILESCc1ccc2c(n1)c(C)c(C(N)=O)n2C.Cl.Cl
InChIInChI=1S/C11H13N3O.2ClH/c1-6-4-5-8-9(13-6)7(2)10(11(12)15)14(8)3;;/h4-5H,1-3H3,(H2,12,15);2*1H
InChIKeyPDBWVQKSPHOODI-UHFFFAOYSA-N
XLogP2.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1,4,5-trimethylbenzimidazol-2-yl)methanamine
CID 84618787
(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
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1-(2-methylquinolin-8-yl)sulfanylpropan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride (CID 175120129) is 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride is Cc1ccc2c(n1)c(C)c(C(N)=O)n2C.Cl.Cl.
What is the InChIKey of 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is PDBWVQKSPHOODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.2ClH/c1-6-4-5-8-9(13-6)7(2)10(11(12)15)14(8)3;;/h4-5H,1-3H3,(H2,12,15);2*1H.
What are the key properties of 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride?
1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 276.17 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylpyrrolo[3,2-b]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 175120129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).