Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide

C₂₆H₂₅N₃O₄ — CID 158477926

About Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide

Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide (PubChem CID 158477926) has the molecular formula C₂₆H₂₅N₃O₄ and a molecular weight of 443.50 g/mol. Its IUPAC name is formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide.

Molecular Properties

• Compound Name: Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide
• PubChem CID: 158477926
• Molecular Formula: C₂₆H₂₅N₃O₄
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide
• SMILES: Cc1ccc([C@@]2(NC(=O)c3cn(C)c4ccccc34)CCOc3cccnc32)cc1.O=CO
• InChI: InChI=1S/C25H23N3O2.CH2O2/c1-17-9-11-18(12-10-17)25(13-15-30-22-8-5-14-26-23(22)25)27-24(29)20-16-28(2)21-7-4-3-6-19(20)21;2-1-3/h3-12,14,16H,13,15H2,1-2H3,(H,27,29);1H,(H,2,3)/t25-;/m0./s1
• InChIKey: HHDXFUSKYZVAOH-UQIIZPHYSA-N
• XLogP: 4.04
• TPSA: 93.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide?

The IUPAC name of Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide (CID 158477926) is formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide.

What is the SMILES notation for Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide?

The canonical SMILES for Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide is Cc1ccc([C@@]2(NC(=O)c3cn(C)c4ccccc34)CCOc3cccnc32)cc1.O=CO.

What is the InChIKey of Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide?

The InChIKey is HHDXFUSKYZVAOH-UQIIZPHYSA-N. The full InChI is InChI=1S/C25H23N3O2.CH2O2/c1-17-9-11-18(12-10-17)25(13-15-30-22-8-5-14-26-23(22)25)27-24(29)20-16-28(2)21-7-4-3-6-19(20)21;2-1-3/h3-12,14,16H,13,15H2,1-2H3,(H,27,29);1H,(H,2,3)/t25-;/m0./s1.

What are the key properties of Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide?

Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 158477926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158477926 — identifiers, structure, computed properties (public domain)

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