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

C21H23N5O5 — CID 118036247

IUPACN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(COC)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C21H23N5O5/c1-29-6-7-31-18-9-19(23-11-16(18)10-22)25-21(28)26-5-3-4-14-8-15(13-30-2)17(12-27)24-20(14)26/h8-9,11-12H,3-7,13H2,1-2H3,(H,23,25,28)
InChIKeyUZFAAIFZYUQWGO-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.32
Rot. Bonds8

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

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036247) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036247
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(COC)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C21H23N5O5/c1-29-6-7-31-18-9-19(23-11-16(18)10-22)25-21(28)26-5-3-4-14-8-15(13-30-2)17(12-27)24-20(14)26/h8-9,11-12H,3-7,13H2,1-2H3,(H,23,25,28)
InChIKeyUZFAAIFZYUQWGO-UHFFFAOYSA-N
XLogP2.32
TPSA126.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.32
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 N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036247) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(COC)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is UZFAAIFZYUQWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-29-6-7-31-18-9-19(23-11-16(18)10-22)25-21(28)26-5-3-4-14-8-15(13-30-2)17(12-27)24-20(14)26/h8-9,11-12H,3-7,13H2,1-2H3,(H,23,25,28).
What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).