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

C28H32N6O5 — CID 163522494

About N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 163522494) has the molecular formula C28H32N6O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 163522494
• Molecular Formula: C28H32N6O5
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.24
• IUPAC Name: N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(C[C@@H]3CCOC3)c(C#N)cn1)CCC2)C(=O)[C@H]1CCOC1
• InChI: InChI=1S/C28H32N6O5/c1-33(27(36)20-5-8-39-17-20)14-22-10-19-3-2-6-34(26(19)31-24(22)15-35)28(37)32-25-11-21(23(12-29)13-30-25)9-18-4-7-38-16-18/h10-11,13,15,18,20H,2-9,14,16-17H2,1H3,(H,30,32,37)/t18-,20-/m0/s1
• InChIKey: DMARZEAXEMZPKI-ICSRJNTNSA-N
• XLogP: 2.72
• TPSA: 137.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 163522494) is N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(C[C@@H]3CCOC3)c(C#N)cn1)CCC2)C(=O)[C@H]1CCOC1.

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

The InChIKey is DMARZEAXEMZPKI-ICSRJNTNSA-N. The full InChI is InChI=1S/C28H32N6O5/c1-33(27(36)20-5-8-39-17-20)14-22-10-19-3-2-6-34(26(19)31-24(22)15-35)28(37)32-25-11-21(23(12-29)13-30-25)9-18-4-7-38-16-18/h10-11,13,15,18,20H,2-9,14,16-17H2,1H3,(H,30,32,37)/t18-,20-/m0/s1.

What are the key properties of N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[[(3R)-oxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[methyl-[(3S)-oxolane-3-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 163522494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).