N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C17H17N3O — CID 154858407

IUPACN-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C17H17N3O/c1-12-5-7-13(8-6-12)11-20(2)17(21)15-10-19-16-14(15)4-3-9-18-16/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyZQXPTRRHRGWKBD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds3

About N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 154858407) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID154858407
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C17H17N3O/c1-12-5-7-13(8-6-12)11-20(2)17(21)15-10-19-16-14(15)4-3-9-18-16/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyZQXPTRRHRGWKBD-UHFFFAOYSA-N
XLogP3.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154801278
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475007
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 154858407) is N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(CN(C)C(=O)c2c[nH]c3ncccc23)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZQXPTRRHRGWKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-5-7-13(8-6-12)11-20(2)17(21)15-10-19-16-14(15)4-3-9-18-16/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 154858407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).