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

C28H31N7O4 — CID 118644401

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

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (PubChem CID 118644401) has the molecular formula C28H31N7O4 and a molecular weight of 529.60 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
• PubChem CID: 118644401
• Molecular Formula: C28H31N7O4
• Molecular Weight: 529.60 g/mol
• Exact Mass: 529.24
• IUPAC Name: N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
• SMILES: C[C@H]1CN(c2ccncc2NC(=O)c2ccc3oc(-c4ccc(N5CCOCC5)nc4)cc3n2)C[C@@H](N)[C@@H]1O
• InChI: InChI=1S/C28H31N7O4/c1-17-15-35(16-19(29)27(17)36)23-6-7-30-14-22(23)33-28(37)20-3-4-24-21(32-20)12-25(39-24)18-2-5-26(31-13-18)34-8-10-38-11-9-34/h2-7,12-14,17,19,27,36H,8-11,15-16,29H2,1H3,(H,33,37)/t17-,19+,27+/m0/s1
• InChIKey: FJHFXAWXCZZWKV-UFLBVARNSA-N
• XLogP: 2.52
• TPSA: 142.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.60
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-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]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide (CID 118644401) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-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]-2-(6-morpholin-4-yl-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]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2ccc3oc(-c4ccc(N5CCOCC5)nc4)cc3n2)C[C@@H](N)[C@@H]1O.

What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?

The InChIKey is FJHFXAWXCZZWKV-UFLBVARNSA-N. The full InChI is InChI=1S/C28H31N7O4/c1-17-15-35(16-19(29)27(17)36)23-6-7-30-14-22(23)33-28(37)20-3-4-24-21(32-20)12-25(39-24)18-2-5-26(31-13-18)34-8-10-38-11-9-34/h2-7,12-14,17,19,27,36H,8-11,15-16,29H2,1H3,(H,33,37)/t17-,19+,27+/m0/s1.

What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide?

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 529.60 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 10 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]-2-(6-morpholin-4-yl-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).