N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide

C25H25N3O3 — CID 145465474

IUPACN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide
SMILESCC1=C2C(C(=O)NO)=CC(c3ccc(-c4ccc(CCCO)cc4)cc3)=NC2CC=N1
InChIInChI=1S/C25H25N3O3/c1-16-24-21(25(30)28-31)15-23(27-22(24)12-13-26-16)20-10-8-19(9-11-20)18-6-4-17(5-7-18)3-2-14-29/h4-11,13,15,22,29,31H,2-3,12,14H2,1H3,(H,28,30)
InChIKeyGKANMBVJZIVOAJ-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.63
Rot. Bonds6

About N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide

N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide (PubChem CID 145465474) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide
PubChem CID145465474
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide
SMILESCC1=C2C(C(=O)NO)=CC(c3ccc(-c4ccc(CCCO)cc4)cc3)=NC2CC=N1
InChIInChI=1S/C25H25N3O3/c1-16-24-21(25(30)28-31)15-23(27-22(24)12-13-26-16)20-10-8-19(9-11-20)18-6-4-17(5-7-18)3-2-14-29/h4-11,13,15,22,29,31H,2-3,12,14H2,1H3,(H,28,30)
InChIKeyGKANMBVJZIVOAJ-UHFFFAOYSA-N
XLogP3.63
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide (CID 145465474) is N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide is CC1=C2C(C(=O)NO)=CC(c3ccc(-c4ccc(CCCO)cc4)cc3)=NC2CC=N1.
What is the InChIKey of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide?
The InChIKey is GKANMBVJZIVOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-24-21(25(30)28-31)15-23(27-22(24)12-13-26-16)20-10-8-19(9-11-20)18-6-4-17(5-7-18)3-2-14-29/h4-11,13,15,22,29,31H,2-3,12,14H2,1H3,(H,28,30).
What are the key properties of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide?
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methyl-8,8a-dihydro-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 145465474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).