N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide

C25H26ClN3O3S — CID 42278292

About N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide

N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 42278292) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide
• PubChem CID: 42278292
• Molecular Formula: C25H26ClN3O3S
• Molecular Weight: 484.02 g/mol
• Exact Mass: 483.14
• IUPAC Name: N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)C2
• InChI: InChI=1S/C25H26ClN3O3S/c1-15-8-10-33-23(15)24(30)28-13-22-16(2)27-12-18-14-29(9-7-21(18)22)25(31)17(3)32-20-6-4-5-19(26)11-20/h4-6,8,10-12,17H,7,9,13-14H2,1-3H3,(H,28,30)/t17-/m1/s1
• InChIKey: NUYWDNSZMNOQFT-QGZVFWFLSA-N
• XLogP: 4.70
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.02
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide?

The IUPAC name of N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide (CID 42278292) is N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide?

The canonical SMILES for N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)C2.

What is the InChIKey of N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide?

The InChIKey is NUYWDNSZMNOQFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-15-8-10-33-23(15)24(30)28-13-22-16(2)27-12-18-14-29(9-7-21(18)22)25(31)17(3)32-20-6-4-5-19(26)11-20/h4-6,8,10-12,17H,7,9,13-14H2,1-3H3,(H,28,30)/t17-/m1/s1.

What are the key properties of N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide?

N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 484.02 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 42278292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).