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

C28H35N9O4 — CID 145406831

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 145406831) has the molecular formula C28H35N9O4 and a molecular weight of 561.65 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 145406831
• Molecular Formula: C28H35N9O4
• Molecular Weight: 561.65 g/mol
• Exact Mass: 561.28
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C5CN(C)C5)CC4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C28H35N9O4/c1-34-15-22(16-34)35-7-8-36(26(39)17-35)14-20-10-19-4-3-6-37(27(19)32-24(20)18-38)28(40)33-25-11-23(30-5-9-41-2)21(12-29)13-31-25/h10-11,13,18,22H,3-9,14-17H2,1-2H3,(H2,30,31,33,40)
• InChIKey: WAQYZJTUIPIINN-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 147.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.65
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 145406831) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C5CN(C)C5)CC4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is WAQYZJTUIPIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N9O4/c1-34-15-22(16-34)35-7-8-36(26(39)17-35)14-20-10-19-4-3-6-37(27(19)32-24(20)18-38)28(40)33-25-11-23(30-5-9-41-2)21(12-29)13-31-25/h10-11,13,18,22H,3-9,14-17H2,1-2H3,(H2,30,31,33,40).

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 561.65 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 145406831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).