N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide

C25H26N6O3 — CID 118644423

IUPACN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(-c2coc3ccc(C(=O)Nc4cnccc4N4CC(C)CC(N)C4)nc23)cn1
InChIInChI=1S/C25H26N6O3/c1-15-9-17(26)13-31(12-15)21-7-8-27-11-20(21)30-25(32)19-4-5-22-24(29-19)18(14-34-22)16-3-6-23(33-2)28-10-16/h3-8,10-11,14-15,17H,9,12-13,26H2,1-2H3,(H,30,32)
InChIKeyUZSNIOGBRDQMEQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.72
Rot. Bonds5

About N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide

N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644423) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID118644423
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(-c2coc3ccc(C(=O)Nc4cnccc4N4CC(C)CC(N)C4)nc23)cn1
InChIInChI=1S/C25H26N6O3/c1-15-9-17(26)13-31(12-15)21-7-8-27-11-20(21)30-25(32)19-4-5-22-24(29-19)18(14-34-22)16-3-6-23(33-2)28-10-16/h3-8,10-11,14-15,17H,9,12-13,26H2,1-2H3,(H,30,32)
InChIKeyUZSNIOGBRDQMEQ-UHFFFAOYSA-N
XLogP3.72
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (CID 118644423) is N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is COc1ccc(-c2coc3ccc(C(=O)Nc4cnccc4N4CC(C)CC(N)C4)nc23)cn1.
What is the InChIKey of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is UZSNIOGBRDQMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-15-9-17(26)13-31(12-15)21-7-8-27-11-20(21)30-25(32)19-4-5-22-24(29-19)18(14-34-22)16-3-6-23(33-2)28-10-16/h3-8,10-11,14-15,17H,9,12-13,26H2,1-2H3,(H,30,32).
What are the key properties of N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).