5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide

C28H29F2N5O3 — CID 172524795

About 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide

5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide (PubChem CID 172524795) has the molecular formula C28H29F2N5O3 and a molecular weight of 521.57 g/mol. Its IUPAC name is 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide
• PubChem CID: 172524795
• Molecular Formula: C28H29F2N5O3
• Molecular Weight: 521.57 g/mol
• Exact Mass: 521.22
• IUPAC Name: 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide
• SMILES: O=C(NCCOC1CC1(F)F)c1ccc(C2=CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1
• InChI: InChI=1S/C28H29F2N5O3/c29-28(30)13-25(28)38-10-7-31-27(37)22-4-3-20(15-33-22)18-5-8-35(9-6-18)16-17-11-24-23(32-14-17)12-21(19-1-2-19)26(36)34-24/h3-5,11-12,14-15,19,25H,1-2,6-10,13,16H2,(H,31,37)(H,34,36)
• InChIKey: YKOWLYPOZIJOGF-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.57
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide?

The IUPAC name of 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide (CID 172524795) is 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide is O=C(NCCOC1CC1(F)F)c1ccc(C2=CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)CC2)cn1.

What is the InChIKey of 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide?

The InChIKey is YKOWLYPOZIJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O3/c29-28(30)13-25(28)38-10-7-31-27(37)22-4-3-20(15-33-22)18-5-8-35(9-6-18)16-17-11-24-23(32-14-17)12-21(19-1-2-19)26(36)34-24/h3-5,11-12,14-15,19,25H,1-2,6-10,13,16H2,(H,31,37)(H,34,36).

What are the key properties of 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide?

5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide has a molecular weight of 521.57 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 172524795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).