5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide

C16H17N3O2 — CID 70709602

IUPAC5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2ccnc3c2ccn3C)o1
InChIInChI=1S/C16H17N3O2/c1-10(2)18-16(20)14-5-4-13(21-14)11-6-8-17-15-12(11)7-9-19(15)3/h4-10H,1-3H3,(H,18,20)
InChIKeyGTGDVSQPBQHMBI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds3

About 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide

5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide (PubChem CID 70709602) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide
PubChem CID70709602
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2ccnc3c2ccn3C)o1
InChIInChI=1S/C16H17N3O2/c1-10(2)18-16(20)14-5-4-13(21-14)11-6-8-17-15-12(11)7-9-19(15)3/h4-10H,1-3H3,(H,18,20)
InChIKeyGTGDVSQPBQHMBI-UHFFFAOYSA-N
XLogP2.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide (CID 70709602) is 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(-c2ccnc3c2ccn3C)o1.
What is the InChIKey of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is GTGDVSQPBQHMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(2)18-16(20)14-5-4-13(21-14)11-6-8-17-15-12(11)7-9-19(15)3/h4-10H,1-3H3,(H,18,20).
What are the key properties of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide?
5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 70709602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).