N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

C19H16Cl2N4O3 — CID 52919162

About N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (PubChem CID 52919162) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
• PubChem CID: 52919162
• Molecular Formula: C19H16Cl2N4O3
• Molecular Weight: 419.27 g/mol
• Exact Mass: 418.06
• IUPAC Name: N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
• SMILES: COc1nc(C(=O)N[C@@H]2COc3cc(Cl)cc(Cl)c32)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C19H16Cl2N4O3/c1-10-7-25(9-22-10)15-4-3-13(24-19(15)27-2)18(26)23-14-8-28-16-6-11(20)5-12(21)17(14)16/h3-7,9,14H,8H2,1-2H3,(H,23,26)/t14-/m1/s1
• InChIKey: DDSNIKQGFZWWMJ-CQSZACIVSA-N
• XLogP: 3.75
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.27
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?

The IUPAC name of N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (CID 52919162) is N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is COc1nc(C(=O)N[C@@H]2COc3cc(Cl)cc(Cl)c32)ccc1-n1cnc(C)c1.

What is the InChIKey of N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?

The InChIKey is DDSNIKQGFZWWMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-10-7-25(9-22-10)15-4-3-13(24-19(15)27-2)18(26)23-14-8-28-16-6-11(20)5-12(21)17(14)16/h3-7,9,14H,8H2,1-2H3,(H,23,26)/t14-/m1/s1.

What are the key properties of N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?

N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide has a molecular weight of 419.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-4,6-dichloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 52919162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).