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

C25H26N6O4 — CID 118644366

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(-c2coc3ccc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C)C4)nc23)cn1
InChIInChI=1S/C25H26N6O4/c1-14-11-31(12-17(26)24(14)32)20-7-8-27-10-19(20)30-25(33)18-4-5-21-23(29-18)16(13-35-21)15-3-6-22(34-2)28-9-15/h3-10,13-14,17,24,32H,11-12,26H2,1-2H3,(H,30,33)/t14-,17+,24+/m0/s1
InChIKeyRSKLBZYVRYHTMN-XDVIXQCFSA-N
MW474.52 g/mol
LogP2.69
Rot. Bonds5

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

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644366) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
PubChem CID118644366
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(-c2coc3ccc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C)C4)nc23)cn1
InChIInChI=1S/C25H26N6O4/c1-14-11-31(12-17(26)24(14)32)20-7-8-27-10-19(20)30-25(33)18-4-5-21-23(29-18)16(13-35-21)15-3-6-22(34-2)28-9-15/h3-10,13-14,17,24,32H,11-12,26H2,1-2H3,(H,30,33)/t14-,17+,24+/m0/s1
InChIKeyRSKLBZYVRYHTMN-XDVIXQCFSA-N
XLogP2.69
TPSA139.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (CID 118644366) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-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-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is COc1ccc(-c2coc3ccc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C)C4)nc23)cn1.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is RSKLBZYVRYHTMN-XDVIXQCFSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-14-11-31(12-17(26)24(14)32)20-7-8-27-10-19(20)30-25(33)18-4-5-21-23(29-18)16(13-35-21)15-3-6-22(34-2)28-9-15/h3-10,13-14,17,24,32H,11-12,26H2,1-2H3,(H,30,33)/t14-,17+,24+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).