(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C16H15N3O2 — CID 81398066

IUPAC(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C16H15N3O2/c1-2-21-13-7-3-6-12(17)14(13)15(20)11-9-19-16-10(11)5-4-8-18-16/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyXMJQMHBPDPBBHO-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.77
Rot. Bonds4

About (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 81398066) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID81398066
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C16H15N3O2/c1-2-21-13-7-3-6-12(17)14(13)15(20)11-9-19-16-10(11)5-4-8-18-16/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyXMJQMHBPDPBBHO-UHFFFAOYSA-N
XLogP2.77
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 104784944
(3-amino-6-chloro-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68670468
(2-methyl-3-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59803810
(2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone
CID 81413663
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
[2-(difluoromethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339376
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 172701145
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 81398066) is (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is CCOc1cccc(N)c1C(=O)c1c[nH]c2ncccc12.
What is the InChIKey of (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is XMJQMHBPDPBBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-13-7-3-6-12(17)14(13)15(20)11-9-19-16-10(11)5-4-8-18-16/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 281.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 81398066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).