N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen

C24H26ClN5O5 — CID 159376707

About N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen

N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen (PubChem CID 159376707) has the molecular formula C24H26ClN5O5 and a molecular weight of 499.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen
• PubChem CID: 159376707
• Molecular Formula: C24H26ClN5O5
• Molecular Weight: 499.96 g/mol
• Exact Mass: 499.16
• IUPAC Name: N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen
• SMILES: O=C(Nc1ccc(Cl)cn1)c1oc2cccnc2c1NC(=O)C1CCC(N2CCOCC2=O)CC1.[H][H]
• InChI: InChI=1S/C24H24ClN5O5.H2/c25-15-5-8-18(27-12-15)28-24(33)22-21(20-17(35-22)2-1-9-26-20)29-23(32)14-3-6-16(7-4-14)30-10-11-34-13-19(30)31;/h1-2,5,8-9,12,14,16H,3-4,6-7,10-11,13H2,(H,29,32)(H,27,28,33);1H
• InChIKey: LKKGPTYMBRCXOZ-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 126.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.96
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen?

The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen (CID 159376707) is N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen is O=C(Nc1ccc(Cl)cn1)c1oc2cccnc2c1NC(=O)C1CCC(N2CCOCC2=O)CC1.[H][H].

What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen?

The InChIKey is LKKGPTYMBRCXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O5.H2/c25-15-5-8-18(27-12-15)28-24(33)22-21(20-17(35-22)2-1-9-26-20)29-23(32)14-3-6-16(7-4-14)30-10-11-34-13-19(30)31;/h1-2,5,8-9,12,14,16H,3-4,6-7,10-11,13H2,(H,29,32)(H,27,28,33);1H.

What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen?

N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 499.96 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159376707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).