N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C21H23N5O4 — CID 118036273

IUPACN-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCCc3cc(C=O)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C21H23N5O4/c1-4-13-9-17(23-11-16(13)10-22)24-21(28)26-7-5-6-14-8-15(12-27)18(25-19(14)26)20(29-2)30-3/h8-9,11-12,20H,4-7H2,1-3H3,(H,23,24,28)
InChIKeyYDQCUZXTZJHIGU-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.00
Rot. Bonds6

About N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036273) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036273
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCCc3cc(C=O)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C21H23N5O4/c1-4-13-9-17(23-11-16(13)10-22)24-21(28)26-7-5-6-14-8-15(12-27)18(25-19(14)26)20(29-2)30-3/h8-9,11-12,20H,4-7H2,1-3H3,(H,23,24,28)
InChIKeyYDQCUZXTZJHIGU-UHFFFAOYSA-N
XLogP3.00
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036273) is N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCc1cc(NC(=O)N2CCCc3cc(C=O)c(C(OC)OC)nc32)ncc1C#N.
What is the InChIKey of N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is YDQCUZXTZJHIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-4-13-9-17(23-11-16(13)10-22)24-21(28)26-7-5-6-14-8-15(12-27)18(25-19(14)26)20(29-2)30-3/h8-9,11-12,20H,4-7H2,1-3H3,(H,23,24,28).
What are the key properties of N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-ethyl-2-pyridinyl)-7-(dimethoxymethyl)-6-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).