(3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

C23H28N6O4 — CID 174220403

IUPAC(3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCCOc1ccc(CN(C(=O)c2cc3c4c(c(N)nc3cn2)[C@@H](C)OC4)C(CC)OC)nn1
InChIInChI=1S/C23H28N6O4/c1-5-20(31-4)29(11-14-7-8-19(28-27-14)32-6-2)23(30)17-9-15-16-12-33-13(3)21(16)22(24)26-18(15)10-25-17/h7-10,13,20H,5-6,11-12H2,1-4H3,(H2,24,26)/t13-,20?/m1/s1
InChIKeyDCCWENOSDZWVEB-CRIUFTBBSA-N
MW452.52 g/mol
LogP3.02
Rot. Bonds8

About (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

(3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (PubChem CID 174220403) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
PubChem CID174220403
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name(3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
SMILESCCOc1ccc(CN(C(=O)c2cc3c4c(c(N)nc3cn2)[C@@H](C)OC4)C(CC)OC)nn1
InChIInChI=1S/C23H28N6O4/c1-5-20(31-4)29(11-14-7-8-19(28-27-14)32-6-2)23(30)17-9-15-16-12-33-13(3)21(16)22(24)26-18(15)10-25-17/h7-10,13,20H,5-6,11-12H2,1-4H3,(H2,24,26)/t13-,20?/m1/s1
InChIKeyDCCWENOSDZWVEB-CRIUFTBBSA-N
XLogP3.02
TPSA125.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-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 (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (CID 174220403) is (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is CCOc1ccc(CN(C(=O)c2cc3c4c(c(N)nc3cn2)[C@@H](C)OC4)C(CC)OC)nn1.
What is the InChIKey of (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is DCCWENOSDZWVEB-CRIUFTBBSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-5-20(31-4)29(11-14-7-8-19(28-27-14)32-6-2)23(30)17-9-15-16-12-33-13(3)21(16)22(24)26-18(15)10-25-17/h7-10,13,20H,5-6,11-12H2,1-4H3,(H2,24,26)/t13-,20?/m1/s1.
What are the key properties of (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?
(3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-(1-methoxypropyl)-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 174220403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).