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

C23H26N6O5 — CID 118036192

IUPAC6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C23H26N6O5/c1-15(31)28(2)13-17-9-16-5-4-6-29(22(16)26-19(17)14-30)23(32)27-21-10-20(34-8-7-33-3)18(11-24)12-25-21/h9-10,12,14H,4-8,13H2,1-3H3,(H,25,27,32)
InChIKeyLKLLFMPSJSCSDN-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.15
Rot. Bonds8

About 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036192) has the molecular formula C23H26N6O5 and a molecular weight of 466.50 g/mol. Its IUPAC name is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036192
Molecular FormulaC23H26N6O5
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C23H26N6O5/c1-15(31)28(2)13-17-9-16-5-4-6-29(22(16)26-19(17)14-30)23(32)27-21-10-20(34-8-7-33-3)18(11-24)12-25-21/h9-10,12,14H,4-8,13H2,1-3H3,(H,25,27,32)
InChIKeyLKLLFMPSJSCSDN-UHFFFAOYSA-N
XLogP2.15
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036192) is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N.
What is the InChIKey of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LKLLFMPSJSCSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5/c1-15(31)28(2)13-17-9-16-5-4-6-29(22(16)26-19(17)14-30)23(32)27-21-10-20(34-8-7-33-3)18(11-24)12-25-21/h9-10,12,14H,4-8,13H2,1-3H3,(H,25,27,32).
What are the key properties of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).