N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C20H23ClN4O5 — CID 121276611

About N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 121276611) has the molecular formula C20H23ClN4O5 and a molecular weight of 434.88 g/mol. Its IUPAC name is N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 121276611
• Molecular Formula: C20H23ClN4O5
• Molecular Weight: 434.88 g/mol
• Exact Mass: 434.14
• IUPAC Name: N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1Cl
• InChI: InChI=1S/C20H23ClN4O5/c1-12(11-29-2)30-17-7-18(22-8-15(17)21)24-20(28)25-5-3-4-13-6-14(9-26)16(10-27)23-19(13)25/h6-8,10,12,26H,3-5,9,11H2,1-2H3,(H,22,24,28)/t12-/m1/s1
• InChIKey: YXCMEQUUOXOINI-GFCCVEGCSA-N
• XLogP: 2.83
• TPSA: 113.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.88
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 121276611) is N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1Cl.

What is the InChIKey of N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is YXCMEQUUOXOINI-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H23ClN4O5/c1-12(11-29-2)30-17-7-18(22-8-15(17)21)24-20(28)25-5-3-4-13-6-14(9-26)16(10-27)23-19(13)25/h6-8,10,12,26H,3-5,9,11H2,1-2H3,(H,22,24,28)/t12-/m1/s1.

What are the key properties of N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 121276611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).