5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C18H19N5O2 — CID 10149937

IUPAC5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccccn4)c3n2)C1
InChIInChI=1S/C18H19N5O2/c1-23-9-7-12(11-23)25-16-6-5-14-17(22-16)13(10-20-14)18(24)21-15-4-2-3-8-19-15/h2-6,8,10,12,20H,7,9,11H2,1H3,(H,19,21,24)
InChIKeyXDZIOWJQDMIWTP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds4

About 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 10149937) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID10149937
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccccn4)c3n2)C1
InChIInChI=1S/C18H19N5O2/c1-23-9-7-12(11-23)25-16-6-5-14-17(22-16)13(10-20-14)18(24)21-15-4-2-3-8-19-15/h2-6,8,10,12,20H,7,9,11H2,1H3,(H,19,21,24)
InChIKeyXDZIOWJQDMIWTP-UHFFFAOYSA-N
XLogP2.29
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 10149937) is 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is CN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccccn4)c3n2)C1.
What is the InChIKey of 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is XDZIOWJQDMIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23-9-7-12(11-23)25-16-6-5-14-17(22-16)13(10-20-14)18(24)21-15-4-2-3-8-19-15/h2-6,8,10,12,20H,7,9,11H2,1H3,(H,19,21,24).
What are the key properties of 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 10149937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).