5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

C21H18ClN3O3 — CID 109244837

About 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide

5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (PubChem CID 109244837) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
• PubChem CID: 109244837
• Molecular Formula: C21H18ClN3O3
• Molecular Weight: 395.85 g/mol
• Exact Mass: 395.10
• IUPAC Name: 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
• SMILES: Cc1cc(Cl)ccc1Nc1cncc(C(=O)Nc2ccc3c(c2)OCCO3)c1
• InChI: InChI=1S/C21H18ClN3O3/c1-13-8-15(22)2-4-18(13)24-17-9-14(11-23-12-17)21(26)25-16-3-5-19-20(10-16)28-7-6-27-19/h2-5,8-12,24H,6-7H2,1H3,(H,25,26)
• InChIKey: QGXFPFJBFGPBEK-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.85
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?

The IUPAC name of 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide (CID 109244837) is 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?

The canonical SMILES for 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is Cc1cc(Cl)ccc1Nc1cncc(C(=O)Nc2ccc3c(c2)OCCO3)c1.

What is the InChIKey of 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?

The InChIKey is QGXFPFJBFGPBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13-8-15(22)2-4-18(13)24-17-9-14(11-23-12-17)21(26)25-16-3-5-19-20(10-16)28-7-6-27-19/h2-5,8-12,24H,6-7H2,1H3,(H,25,26).

What are the key properties of 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide?

5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109244837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).