N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide

C21H22N4O4 — CID 172515954

IUPACN-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide
SMILESCOc1ccc2c(Nc3ccc(C4(C(=O)NO)CCOCC4)cc3)ccnc2n1
InChIInChI=1S/C21H22N4O4/c1-28-18-7-6-16-17(8-11-22-19(16)24-18)23-15-4-2-14(3-5-15)21(20(26)25-27)9-12-29-13-10-21/h2-8,11,27H,9-10,12-13H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyZPBBTWMTHNNSEO-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.94
Rot. Bonds5

About N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide

N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide (PubChem CID 172515954) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide
PubChem CID172515954
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide
SMILESCOc1ccc2c(Nc3ccc(C4(C(=O)NO)CCOCC4)cc3)ccnc2n1
InChIInChI=1S/C21H22N4O4/c1-28-18-7-6-16-17(8-11-22-19(16)24-18)23-15-4-2-14(3-5-15)21(20(26)25-27)9-12-29-13-10-21/h2-8,11,27H,9-10,12-13H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyZPBBTWMTHNNSEO-UHFFFAOYSA-N
XLogP2.94
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide
CID 172515952
4-(4-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)oxane-4-carboxamide
CID 99620718
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100773165
2-methoxy-5-[[4-(sulfinatoamino)phenyl]methylamino]-1,8-naphthyridine
CID 155099868
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772769
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
CID 27456641

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide (CID 172515954) is N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide is COc1ccc2c(Nc3ccc(C4(C(=O)NO)CCOCC4)cc3)ccnc2n1.
What is the InChIKey of N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide?
The InChIKey is ZPBBTWMTHNNSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-18-7-6-16-17(8-11-22-19(16)24-18)23-15-4-2-14(3-5-15)21(20(26)25-27)9-12-29-13-10-21/h2-8,11,27H,9-10,12-13H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide?
N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 172515954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).