7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

C21H26N4O — CID 24873516

IUPAC7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12
InChIInChI=1S/C21H26N4O/c1-12-8-7-9-13(2)16(12)11-22-17-10-18(21(26)25(5)6)24-19-14(3)15(4)23-20(17)19/h7-10,23H,11H2,1-6H3,(H,22,24)
InChIKeyXQZGTIQVRJGKRI-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.11
Rot. Bonds4

About 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 24873516) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID24873516
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12
InChIInChI=1S/C21H26N4O/c1-12-8-7-9-13(2)16(12)11-22-17-10-18(21(26)25(5)6)24-19-14(3)15(4)23-20(17)19/h7-10,23H,11H2,1-6H3,(H,22,24)
InChIKeyXQZGTIQVRJGKRI-UHFFFAOYSA-N
XLogP4.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 24873516) is 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12.
What is the InChIKey of 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is XQZGTIQVRJGKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-12-8-7-9-13(2)16(12)11-22-17-10-18(21(26)25(5)6)24-19-14(3)15(4)23-20(17)19/h7-10,23H,11H2,1-6H3,(H,22,24).
What are the key properties of 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 24873516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).