1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide

C24H29N6O4+ — CID 118038691

About 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide

1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (PubChem CID 118038691) has the molecular formula C24H29N6O4+ and a molecular weight of 465.53 g/mol. Its IUPAC name is 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.

Molecular Properties

• Compound Name: 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
• PubChem CID: 118038691
• Molecular Formula: C24H29N6O4+
• Molecular Weight: 465.53 g/mol
• Exact Mass: 465.22
• IUPAC Name: 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
• SMILES: CN1CCCCC1COc1cc([N+]2(C(N)=O)CCCc3cc(CO)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C24H28N6O4/c1-29-7-3-2-6-19(29)15-34-21-10-22(27-12-18(21)11-25)30(24(26)33)8-4-5-16-9-17(13-31)20(14-32)28-23(16)30/h9-10,12,14,19,31H,2-8,13,15H2,1H3,(H-,26,33)/p+1
• InChIKey: ITWNXYQPMWAZAE-UHFFFAOYSA-O
• XLogP: 2.18
• TPSA: 142.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?

The IUPAC name of 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (CID 118038691) is 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.

What is the SMILES notation for 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?

The canonical SMILES for 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is CN1CCCCC1COc1cc([N+]2(C(N)=O)CCCc3cc(CO)c(C=O)nc32)ncc1C#N.

What is the InChIKey of 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?

The InChIKey is ITWNXYQPMWAZAE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N6O4/c1-29-7-3-2-6-19(29)15-34-21-10-22(27-12-18(21)11-25)30(24(26)33)8-4-5-16-9-17(13-31)20(14-32)28-23(16)30/h9-10,12,14,19,31H,2-8,13,15H2,1H3,(H-,26,33)/p+1.

What are the key properties of 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide?

1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is sourced from PubChem (CID 118038691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).