N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide

C28H30N4O3S — CID 59389928

About N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide

N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 59389928) has the molecular formula C28H30N4O3S and a molecular weight of 502.64 g/mol. Its IUPAC name is N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide
• PubChem CID: 59389928
• Molecular Formula: C28H30N4O3S
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.20
• IUPAC Name: N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide
• SMILES: COc1ccc(C)cc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCc1cc(C)ccn1)C2
• InChI: InChI=1S/C28H30N4O3S/c1-18-4-7-24(35-3)20(14-18)5-8-26(33)31-28-23(16-29)22-11-13-32(17-25(22)36-28)27(34)9-6-21-15-19(2)10-12-30-21/h4,7,10,12,14-15H,5-6,8-9,11,13,17H2,1-3H3,(H,31,33)
• InChIKey: ZSVYABPOCPRZRJ-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 95.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide?

The IUPAC name of N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide (CID 59389928) is N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide.

What is the SMILES notation for N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide?

The canonical SMILES for N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCc1cc(C)ccn1)C2.

What is the InChIKey of N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide?

The InChIKey is ZSVYABPOCPRZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3S/c1-18-4-7-24(35-3)20(14-18)5-8-26(33)31-28-23(16-29)22-11-13-32(17-25(22)36-28)27(34)9-6-21-15-19(2)10-12-30-21/h4,7,10,12,14-15H,5-6,8-9,11,13,17H2,1-3H3,(H,31,33).

What are the key properties of N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide?

N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 502.64 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-6-[3-(4-methyl-2-pyridinyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 59389928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).