5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide

C16H18N4O2 — CID 56908693

IUPAC5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide
SMILESCCCCNC(=O)c1ccc(-c2cc(N)nc3[nH]ccc23)o1
InChIInChI=1S/C16H18N4O2/c1-2-3-7-19-16(21)13-5-4-12(22-13)11-9-14(17)20-15-10(11)6-8-18-15/h4-6,8-9H,2-3,7H2,1H3,(H,19,21)(H3,17,18,20)
InChIKeyWVTSBUIXPJUYDU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.93
Rot. Bonds5

About 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide

5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide (PubChem CID 56908693) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide
PubChem CID56908693
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide
SMILESCCCCNC(=O)c1ccc(-c2cc(N)nc3[nH]ccc23)o1
InChIInChI=1S/C16H18N4O2/c1-2-3-7-19-16(21)13-5-4-12(22-13)11-9-14(17)20-15-10(11)6-8-18-15/h4-6,8-9H,2-3,7H2,1H3,(H,19,21)(H3,17,18,20)
InChIKeyWVTSBUIXPJUYDU-UHFFFAOYSA-N
XLogP2.93
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide?
The IUPAC name of 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide (CID 56908693) is 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide.
What is the SMILES notation for 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide?
The canonical SMILES for 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide is CCCCNC(=O)c1ccc(-c2cc(N)nc3[nH]ccc23)o1.
What is the InChIKey of 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide?
The InChIKey is WVTSBUIXPJUYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-3-7-19-16(21)13-5-4-12(22-13)11-9-14(17)20-15-10(11)6-8-18-15/h4-6,8-9H,2-3,7H2,1H3,(H,19,21)(H3,17,18,20).
What are the key properties of 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide?
5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-butylfuran-2-carboxamide is sourced from PubChem (CID 56908693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).