N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide

C18H20N4O2 — CID 10925382

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccco4)nc23)CC1
InChIInChI=1S/C18H20N4O2/c1-22-8-6-12(7-9-22)13-11-19-14-4-5-16(20-17(13)14)21-18(23)15-3-2-10-24-15/h2-5,10-12,19H,6-9H2,1H3,(H,20,21,23)
InChIKeyYLMDJSLIPJEWKV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds3

About N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide (PubChem CID 10925382) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide
PubChem CID10925382
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccco4)nc23)CC1
InChIInChI=1S/C18H20N4O2/c1-22-8-6-12(7-9-22)13-11-19-14-4-5-16(20-17(13)14)21-18(23)15-3-2-10-24-15/h2-5,10-12,19H,6-9H2,1H3,(H,20,21,23)
InChIKeyYLMDJSLIPJEWKV-UHFFFAOYSA-N
XLogP3.22
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide (CID 10925382) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide is CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccco4)nc23)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide?
The InChIKey is YLMDJSLIPJEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22-8-6-12(7-9-22)13-11-19-14-4-5-16(20-17(13)14)21-18(23)15-3-2-10-24-15/h2-5,10-12,19H,6-9H2,1H3,(H,20,21,23).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 10925382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).