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

C18H20N4O2 — CID 11120893

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)nc23)CC1
InChIInChI=1S/C18H20N4O2/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(H,20,21,23)
InChIKeyBUNPANXQBOTFPV-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-3-carboxamide

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide (PubChem CID 11120893) 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-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide
PubChem CID11120893
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-3-carboxamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)nc23)CC1
InChIInChI=1S/C18H20N4O2/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(H,20,21,23)
InChIKeyBUNPANXQBOTFPV-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-3-carboxamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide (CID 11120893) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide is CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)nc23)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide?
The InChIKey is BUNPANXQBOTFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(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-3-carboxamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-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-3-carboxamide is sourced from PubChem (CID 11120893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).