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

C26H32N8O4 — CID 118037177

About N-[5-cyano-4-[[(2S)-1-methoxypropan-2-yl]amino]-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-[[(2S)-1-methoxypropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118037177) has the molecular formula C26H32N8O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[5-cyano-4-[[(2S)-1-methoxypropan-2-yl]amino]-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-[[(2S)-1-methoxypropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118037177
• Molecular Formula: C26H32N8O4
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.25
• IUPAC Name: N-[5-cyano-4-[[(2S)-1-methoxypropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COC[C@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C26H32N8O4/c1-17(16-38-3)29-21-10-23(28-12-20(21)11-27)31-26(37)34-6-4-5-18-9-19(22(15-35)30-25(18)34)13-33-8-7-32(2)14-24(33)36/h9-10,12,15,17H,4-8,13-14,16H2,1-3H3,(H2,28,29,31,37)/t17-/m0/s1
• InChIKey: ODGIYJISIWJCTG-KRWDZBQOSA-N
• XLogP: 1.87
• TPSA: 143.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[[(2S)-1-methoxypropan-2-yl]amino]-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-[[(2S)-1-methoxypropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118037177) is N-[5-cyano-4-[[(2S)-1-methoxypropan-2-yl]amino]-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-[[(2S)-1-methoxypropan-2-yl]amino]-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-[[(2S)-1-methoxypropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC[C@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is ODGIYJISIWJCTG-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H32N8O4/c1-17(16-38-3)29-21-10-23(28-12-20(21)11-27)31-26(37)34-6-4-5-18-9-19(22(15-35)30-25(18)34)13-33-8-7-32(2)14-24(33)36/h9-10,12,15,17H,4-8,13-14,16H2,1-3H3,(H2,28,29,31,37)/t17-/m0/s1.

What are the key properties of N-[5-cyano-4-[[(2S)-1-methoxypropan-2-yl]amino]-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-[[(2S)-1-methoxypropan-2-yl]amino]-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 520.59 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[[(2S)-1-methoxypropan-2-yl]amino]-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 118037177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).