N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide

C24H25N5O4 — CID 71599062

IUPACN'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide
SMILESN/C(COc1ccc(C2=CCN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)CC2)cc1)=N\O
InChIInChI=1S/C24H25N5O4/c25-21(28-32)15-33-20-5-2-17(3-6-20)18-9-11-29(12-10-18)23(31)8-1-16-13-19-4-7-22(30)27-24(19)26-14-16/h1-3,5-6,8-9,13-14,32H,4,7,10-12,15H2,(H2,25,28)(H,26,27,30)/b8-1+
InChIKeyHXFZLASJXJXOSC-UNXLUWIOSA-N
MW447.50 g/mol
LogP2.42
Rot. Bonds6

About N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide

N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide (PubChem CID 71599062) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide
PubChem CID71599062
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide
SMILESN/C(COc1ccc(C2=CCN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)CC2)cc1)=N\O
InChIInChI=1S/C24H25N5O4/c25-21(28-32)15-33-20-5-2-17(3-6-20)18-9-11-29(12-10-18)23(31)8-1-16-13-19-4-7-22(30)27-24(19)26-14-16/h1-3,5-6,8-9,13-14,32H,4,7,10-12,15H2,(H2,25,28)(H,26,27,30)/b8-1+
InChIKeyHXFZLASJXJXOSC-UNXLUWIOSA-N
XLogP2.42
TPSA130.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide (CID 71599062) is N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide is N/C(COc1ccc(C2=CCN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)CC2)cc1)=N\O.
What is the InChIKey of N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide?
The InChIKey is HXFZLASJXJXOSC-UNXLUWIOSA-N. The full InChI is InChI=1S/C24H25N5O4/c25-21(28-32)15-33-20-5-2-17(3-6-20)18-9-11-29(12-10-18)23(31)8-1-16-13-19-4-7-22(30)27-24(19)26-14-16/h1-3,5-6,8-9,13-14,32H,4,7,10-12,15H2,(H2,25,28)(H,26,27,30)/b8-1+.
What are the key properties of N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide?
N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide has a molecular weight of 447.50 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide is sourced from PubChem (CID 71599062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).