N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide

C29H31ClN6O5 — CID 23088738

About N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide (PubChem CID 23088738) has the molecular formula C29H31ClN6O5 and a molecular weight of 579.06 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide
• PubChem CID: 23088738
• Molecular Formula: C29H31ClN6O5
• Molecular Weight: 579.06 g/mol
• Exact Mass: 578.20
• IUPAC Name: N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc(Cl)cn1)c1oc2ccc(C(=O)N3CCCC3)nc2c1NC(=O)C1CCC(N2CCCC2=O)CC1
• InChI: InChI=1S/C29H31ClN6O5/c30-18-7-12-22(31-16-18)33-28(39)26-25(24-21(41-26)11-10-20(32-24)29(40)35-13-1-2-14-35)34-27(38)17-5-8-19(9-6-17)36-15-3-4-23(36)37/h7,10-12,16-17,19H,1-6,8-9,13-15H2,(H,34,38)(H,31,33,39)
• InChIKey: GVPAIKNSKJJSHK-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 137.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.06
LogP ≤ 5	4.48
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-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide (CID 23088738) is N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1oc2ccc(C(=O)N3CCCC3)nc2c1NC(=O)C1CCC(N2CCCC2=O)CC1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide?

The InChIKey is GVPAIKNSKJJSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN6O5/c30-18-7-12-22(31-16-18)33-28(39)26-25(24-21(41-26)11-10-20(32-24)29(40)35-13-1-2-14-35)34-27(38)17-5-8-19(9-6-17)36-15-3-4-23(36)37/h7,10-12,16-17,19H,1-6,8-9,13-15H2,(H,34,38)(H,31,33,39).

What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide?

N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 579.06 g/mol, XLogP of 4.48, 6 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-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-5-(pyrrolidine-1-carbonyl)furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 23088738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).