2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide

C19H22N4O3 — CID 172554539

IUPAC2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3c(=O)n(C)c(C)cc32)c1C
InChIInChI=1S/C19H22N4O3/c1-9-6-7-13(26-5)11(3)16(9)23-12-8-10(2)22(4)19(25)14(12)15(17(23)20)18(21)24/h6-8H,20H2,1-5H3,(H2,21,24)
InChIKeyNHTODBWIOQZAKD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide

2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 172554539) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID172554539
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3c(=O)n(C)c(C)cc32)c1C
InChIInChI=1S/C19H22N4O3/c1-9-6-7-13(26-5)11(3)16(9)23-12-8-10(2)22(4)19(25)14(12)15(17(23)20)18(21)24/h6-8H,20H2,1-5H3,(H2,21,24)
InChIKeyNHTODBWIOQZAKD-UHFFFAOYSA-N
XLogP1.94
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide (CID 172554539) is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide is COc1ccc(C)c(-n2c(N)c(C(N)=O)c3c(=O)n(C)c(C)cc32)c1C.
What is the InChIKey of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is NHTODBWIOQZAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-9-6-7-13(26-5)11(3)16(9)23-12-8-10(2)22(4)19(25)14(12)15(17(23)20)18(21)24/h6-8H,20H2,1-5H3,(H2,21,24).
What are the key properties of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 172554539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).