8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride

C20H22ClN3O3 — CID 162304429

IUPAC8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride
SMILESCC(C)OCCOc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-13(2)25-9-10-26-16-6-3-14(4-7-16)17-12-22-11-15-5-8-18(20(21)24)23-19(15)17;/h3-8,11-13H,9-10H2,1-2H3,(H2,21,24);1H
InChIKeyXVDLJKBJVQZSAD-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.62
Rot. Bonds7

About 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride

8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride (PubChem CID 162304429) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride
PubChem CID162304429
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride
SMILESCC(C)OCCOc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-13(2)25-9-10-26-16-6-3-14(4-7-16)17-12-22-11-15-5-8-18(20(21)24)23-19(15)17;/h3-8,11-13H,9-10H2,1-2H3,(H2,21,24);1H
InChIKeyXVDLJKBJVQZSAD-UHFFFAOYSA-N
XLogP3.62
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride?
The IUPAC name of 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride (CID 162304429) is 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride is CC(C)OCCOc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1.Cl.
What is the InChIKey of 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride?
The InChIKey is XVDLJKBJVQZSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.ClH/c1-13(2)25-9-10-26-16-6-3-14(4-7-16)17-12-22-11-15-5-8-18(20(21)24)23-19(15)17;/h3-8,11-13H,9-10H2,1-2H3,(H2,21,24);1H.
What are the key properties of 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride?
8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-propan-2-yloxyethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 162304429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).