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

C26H27N9O3S — CID 146320356

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

N-[5-cyano-4-(1,3-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 146320356) has the molecular formula C26H27N9O3S and a molecular weight of 545.63 g/mol. Its IUPAC name is N-[5-cyano-4-(1,3-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-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-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 146320356
• Molecular Formula: C26H27N9O3S
• Molecular Weight: 545.63 g/mol
• Exact Mass: 545.20
• IUPAC Name: N-[5-cyano-4-(1,3-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NCc4nccs4)c(C#N)cn2)CCC3)C(=O)C1
• InChI: InChI=1S/C26H27N9O3S/c1-33-6-7-34(24(37)15-33)14-18-9-17-3-2-5-35(25(17)31-21(18)16-36)26(38)32-22-10-20(19(11-27)12-30-22)29-13-23-28-4-8-39-23/h4,8-10,12,16H,2-3,5-7,13-15H2,1H3,(H2,29,30,32,38)
• InChIKey: KFBAFAAMVKBQGU-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 147.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.63
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(1,3-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-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-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 146320356) is N-[5-cyano-4-(1,3-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-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-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-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-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NCc4nccs4)c(C#N)cn2)CCC3)C(=O)C1.

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

The InChIKey is KFBAFAAMVKBQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O3S/c1-33-6-7-34(24(37)15-33)14-18-9-17-3-2-5-35(25(17)31-21(18)16-36)26(38)32-22-10-20(19(11-27)12-30-22)29-13-23-28-4-8-39-23/h4,8-10,12,16H,2-3,5-7,13-15H2,1H3,(H2,29,30,32,38).

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

N-[5-cyano-4-(1,3-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 545.63 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(1,3-thiazol-2-ylmethylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 146320356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).