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

C22H28N4O — CID 11508841

IUPAC7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12
InChIInChI=1S/C22H28N4O/c1-7-16-10-8-9-13(2)17(16)12-23-18-11-19(22(27)26(5)6)25-20-14(3)15(4)24-21(18)20/h8-11,24H,7,12H2,1-6H3,(H,23,25)
InChIKeyFUYQNHMRZBSEET-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.36
Rot. Bonds5

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

7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 11508841) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID11508841
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12
InChIInChI=1S/C22H28N4O/c1-7-16-10-8-9-13(2)17(16)12-23-18-11-19(22(27)26(5)6)25-20-14(3)15(4)24-21(18)20/h8-11,24H,7,12H2,1-6H3,(H,23,25)
InChIKeyFUYQNHMRZBSEET-UHFFFAOYSA-N
XLogP4.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 11508841) is 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12.
What is the InChIKey of 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is FUYQNHMRZBSEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-7-16-10-8-9-13(2)17(16)12-23-18-11-19(22(27)26(5)6)25-20-14(3)15(4)24-21(18)20/h8-11,24H,7,12H2,1-6H3,(H,23,25).
What are the key properties of 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethyl-6-methylphenyl)methylamino]-N,N,2,3-tetramethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 11508841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).