N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H32N8O3S — CID 158437878

About N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158437878) has the molecular formula C26H32N8O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 158437878
• Molecular Formula: C26H32N8O3S
• Molecular Weight: 536.66 g/mol
• Exact Mass: 536.23
• IUPAC Name: N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COc1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(N2CCSCC2)c(C#N)cn1
• InChI: InChI=1S/C26H32N8O3S/c1-31-6-7-33(23(35)17-31)16-19-12-18-4-3-5-34(24(18)30-25(19)37-2)26(36)29-22-13-21(20(14-27)15-28-22)32-8-10-38-11-9-32/h12-13,15H,3-11,16-17H2,1-2H3,(H,28,29,36)
• InChIKey: JORARILYJDZRGB-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 117.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.66
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158437878) is N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(N2CCSCC2)c(C#N)cn1.

What is the InChIKey of N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is JORARILYJDZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S/c1-31-6-7-33(23(35)17-31)16-19-12-18-4-3-5-34(24(18)30-25(19)37-2)26(36)29-22-13-21(20(14-27)15-28-22)32-8-10-38-11-9-32/h12-13,15H,3-11,16-17H2,1-2H3,(H,28,29,36).

What are the key properties of N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158437878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).