2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C17H18N6O3 — CID 171059653

IUPAC2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(NC(N)=O)cnc21
InChIInChI=1S/C17H18N6O3/c1-7-3-4-11(24)8(2)13(7)23-14(18)12(15(19)25)10-5-9(22-17(20)26)6-21-16(10)23/h3-6,24H,18H2,1-2H3,(H2,19,25)(H3,20,22,26)
InChIKeyGTJBEEYAZPGQOI-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.52
Rot. Bonds3

About 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171059653) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171059653
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(NC(N)=O)cnc21
InChIInChI=1S/C17H18N6O3/c1-7-3-4-11(24)8(2)13(7)23-14(18)12(15(19)25)10-5-9(22-17(20)26)6-21-16(10)23/h3-6,24H,18H2,1-2H3,(H2,19,25)(H3,20,22,26)
InChIKeyGTJBEEYAZPGQOI-UHFFFAOYSA-N
XLogP1.52
TPSA162.28 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Lunresertib
CID 156869388
Myt1-IN-3
CID 156869367
Myt1-IN-1
CID 156869546
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869549
4-Hydroxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10647327
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168075
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-morpholin-4-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869375
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869445
2-Amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869459
6-Amino-2-(3,5-difluoro-2-pyridinyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869476
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 171059653) is 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(NC(N)=O)cnc21.
What is the InChIKey of 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is GTJBEEYAZPGQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-7-3-4-11(24)8(2)13(7)23-14(18)12(15(19)25)10-5-9(22-17(20)26)6-21-16(10)23/h3-6,24H,18H2,1-2H3,(H2,19,25)(H3,20,22,26).
What are the key properties of 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(carbamoylamino)-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171059653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).