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

C25H30N8O3S — CID 159874368

About N-[5-cyano-4-(1,3-thiazolidin-3-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-(1,3-thiazolidin-3-yl)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159874368) has the molecular formula C25H30N8O3S and a molecular weight of 522.64 g/mol. Its IUPAC name is N-[5-cyano-4-(1,3-thiazolidin-3-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-(1,3-thiazolidin-3-yl)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 159874368
• Molecular Formula: C25H30N8O3S
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.22
• IUPAC Name: N-[5-cyano-4-(1,3-thiazolidin-3-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(N2CCSC2)c(C#N)cn1
• InChI: InChI=1S/C25H30N8O3S/c1-30-6-7-31(22(34)15-30)14-18-10-17-4-3-5-33(23(17)29-24(18)36-2)25(35)28-21-11-20(19(12-26)13-27-21)32-8-9-37-16-32/h10-11,13H,3-9,14-16H2,1-2H3,(H,27,28,35)
• InChIKey: NSSGONPQKXGHAX-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 117.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(1,3-thiazolidin-3-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-(1,3-thiazolidin-3-yl)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159874368) is N-[5-cyano-4-(1,3-thiazolidin-3-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-(1,3-thiazolidin-3-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-(1,3-thiazolidin-3-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(N2CCSC2)c(C#N)cn1.

What is the InChIKey of N-[5-cyano-4-(1,3-thiazolidin-3-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 NSSGONPQKXGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3S/c1-30-6-7-31(22(34)15-30)14-18-10-17-4-3-5-33(23(17)29-24(18)36-2)25(35)28-21-11-20(19(12-26)13-27-21)32-8-9-37-16-32/h10-11,13H,3-9,14-16H2,1-2H3,(H,27,28,35).

What are the key properties of N-[5-cyano-4-(1,3-thiazolidin-3-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-(1,3-thiazolidin-3-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 522.64 g/mol, XLogP of 2.13, 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-(1,3-thiazolidin-3-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 159874368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).