1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide

C17H21N5O — CID 157011985

IUPAC1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1ccc2ccn(C)c2n1
InChIInChI=1S/C17H21N5O/c1-4-9-22(12-15-18-8-11-20(15)2)17(23)14-6-5-13-7-10-21(3)16(13)19-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyXXVVBKJLLCVZLU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.36
Rot. Bonds5

About 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide

1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 157011985) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID157011985
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1ccc2ccn(C)c2n1
InChIInChI=1S/C17H21N5O/c1-4-9-22(12-15-18-8-11-20(15)2)17(23)14-6-5-13-7-10-21(3)16(13)19-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyXXVVBKJLLCVZLU-UHFFFAOYSA-N
XLogP2.36
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide (CID 157011985) is 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide is CCCN(Cc1nccn1C)C(=O)c1ccc2ccn(C)c2n1.
What is the InChIKey of 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is XXVVBKJLLCVZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-4-9-22(12-15-18-8-11-20(15)2)17(23)14-6-5-13-7-10-21(3)16(13)19-14/h5-8,10-11H,4,9,12H2,1-3H3.
What are the key properties of 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide?
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 157011985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).