N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide

C26H24ClN5O2 — CID 53465072

About N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (PubChem CID 53465072) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
• PubChem CID: 53465072
• Molecular Formula: C26H24ClN5O2
• Molecular Weight: 473.96 g/mol
• Exact Mass: 473.16
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(Nc3ccncc3)c2C1
• InChI: InChI=1S/C26H24ClN5O2/c1-34-24-7-6-17(27)14-23(24)31-25(33)16-32-13-10-22-20(15-32)26(29-18-8-11-28-12-9-18)19-4-2-3-5-21(19)30-22/h2-9,11-12,14H,10,13,15-16H2,1H3,(H,31,33)(H,28,29,30)
• InChIKey: WRDKQJKZARXLDU-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.96
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (CID 53465072) is N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(Nc3ccncc3)c2C1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?

The InChIKey is WRDKQJKZARXLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-34-24-7-6-17(27)14-23(24)31-25(33)16-32-13-10-22-20(15-32)26(29-18-8-11-28-12-9-18)19-4-2-3-5-21(19)30-22/h2-9,11-12,14H,10,13,15-16H2,1H3,(H,31,33)(H,28,29,30).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?

N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide has a molecular weight of 473.96 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[10-(pyridin-4-ylamino)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is sourced from PubChem (CID 53465072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).