N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide

C25H23N3O4 — CID 91666314

IUPACN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
SMILESCOc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C25H23N3O4/c1-32-24-22(25(30)28-31)20-15-26-13-12-21(20)27-23(24)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-2-14-29/h4-13,15,29,31H,2-3,14H2,1H3,(H,28,30)
InChIKeyZBOBRLFHUCIZDY-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.02
Rot. Bonds7

About N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide

N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide (PubChem CID 91666314) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
PubChem CID91666314
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
SMILESCOc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO
InChIInChI=1S/C25H23N3O4/c1-32-24-22(25(30)28-31)20-15-26-13-12-21(20)27-23(24)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-2-14-29/h4-13,15,29,31H,2-3,14H2,1H3,(H,28,30)
InChIKeyZBOBRLFHUCIZDY-UHFFFAOYSA-N
XLogP4.02
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide (CID 91666314) is N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide is COc1c(-c2ccc(-c3ccc(CCCO)cc3)cc2)nc2ccncc2c1C(=O)NO.
What is the InChIKey of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
The InChIKey is ZBOBRLFHUCIZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-32-24-22(25(30)28-31)20-15-26-13-12-21(20)27-23(24)19-10-8-18(9-11-19)17-6-4-16(5-7-17)3-2-14-29/h4-13,15,29,31H,2-3,14H2,1H3,(H,28,30).
What are the key properties of N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide?
N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 91666314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).