N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane

C28H34N6O5 — CID 142284802

IUPACN-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane
SMILESCC.N#Cc1cnc(NC(=O)N2CCCc3cc(CNC(=O)C4CCCO4)c(C=O)nc32)cc1OC1CCC1
InChIInChI=1S/C26H28N6O5.C2H6/c27-12-18-14-28-23(11-22(18)37-19-5-1-6-19)31-26(35)32-8-2-4-16-10-17(20(15-33)30-24(16)32)13-29-25(34)21-7-3-9-36-21;1-2/h10-11,14-15,19,21H,1-9,13H2,(H,29,34)(H,28,31,35);1-2H3
InChIKeyAHVKNAVAOQLUQA-UHFFFAOYSA-N
MW534.62 g/mol
LogP3.90
Rot. Bonds7

About N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane

N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane (PubChem CID 142284802) has the molecular formula C28H34N6O5 and a molecular weight of 534.62 g/mol. Its IUPAC name is N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane.

Molecular Properties

Compound NameN-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane
PubChem CID142284802
Molecular FormulaC28H34N6O5
Molecular Weight534.62 g/mol
Exact Mass534.26
IUPAC NameN-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane
SMILESCC.N#Cc1cnc(NC(=O)N2CCCc3cc(CNC(=O)C4CCCO4)c(C=O)nc32)cc1OC1CCC1
InChIInChI=1S/C26H28N6O5.C2H6/c27-12-18-14-28-23(11-22(18)37-19-5-1-6-19)31-26(35)32-8-2-4-16-10-17(20(15-33)30-24(16)32)13-29-25(34)21-7-3-9-36-21;1-2/h10-11,14-15,19,21H,1-9,13H2,(H,29,34)(H,28,31,35);1-2H3
InChIKeyAHVKNAVAOQLUQA-UHFFFAOYSA-N
XLogP3.90
TPSA146.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane?
The IUPAC name of N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane (CID 142284802) is N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane.
What is the SMILES notation for N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane?
The canonical SMILES for N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane is CC.N#Cc1cnc(NC(=O)N2CCCc3cc(CNC(=O)C4CCCO4)c(C=O)nc32)cc1OC1CCC1.
What is the InChIKey of N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane?
The InChIKey is AHVKNAVAOQLUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5.C2H6/c27-12-18-14-28-23(11-22(18)37-19-5-1-6-19)31-26(35)32-8-2-4-16-10-17(20(15-33)30-24(16)32)13-29-25(34)21-7-3-9-36-21;1-2/h10-11,14-15,19,21H,1-9,13H2,(H,29,34)(H,28,31,35);1-2H3.
What are the key properties of N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane?
N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane has a molecular weight of 534.62 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-cyclobutyloxy-2-pyridinyl)-7-formyl-6-[(oxolane-2-carbonylamino)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane is sourced from PubChem (CID 142284802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).