4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

C17H18N4O2 — CID 56912389

IUPAC4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESCOCCNc1cc(-c2ccc(C(N)=O)cc2)c2cc[nH]c2n1
InChIInChI=1S/C17H18N4O2/c1-23-9-8-19-15-10-14(13-6-7-20-17(13)21-15)11-2-4-12(5-3-11)16(18)22/h2-7,10H,8-9H2,1H3,(H2,18,22)(H2,19,20,21)
InChIKeyHAONFEXLOHYFPO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.39
Rot. Bonds6

About 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (PubChem CID 56912389) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
PubChem CID56912389
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESCOCCNc1cc(-c2ccc(C(N)=O)cc2)c2cc[nH]c2n1
InChIInChI=1S/C17H18N4O2/c1-23-9-8-19-15-10-14(13-6-7-20-17(13)21-15)11-2-4-12(5-3-11)16(18)22/h2-7,10H,8-9H2,1H3,(H2,18,22)(H2,19,20,21)
InChIKeyHAONFEXLOHYFPO-UHFFFAOYSA-N
XLogP2.39
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide
CID 56901483
3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 56909607
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906336
4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56896945
1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
CID 56901295
2-[4-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-2-methylpropanamide
CID 56887929
[4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 146565174
N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 70775168
4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-carboxamide
CID 56901940
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
N-[4-[4-[amino(propylsulfonyl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561553
N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906338

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The IUPAC name of 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (CID 56912389) is 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The canonical SMILES for 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is COCCNc1cc(-c2ccc(C(N)=O)cc2)c2cc[nH]c2n1.
What is the InChIKey of 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The InChIKey is HAONFEXLOHYFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-9-8-19-15-10-14(13-6-7-20-17(13)21-15)11-2-4-12(5-3-11)16(18)22/h2-7,10H,8-9H2,1H3,(H2,18,22)(H2,19,20,21).
What are the key properties of 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide has a molecular weight of 310.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 56912389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).