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

C18H20N6O4 — CID 172515952

IUPACN-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide
SMILESCOc1ccc2c(Nc3cnn(C4(C(=O)NO)CCOCC4)c3)ccnc2n1
InChIInChI=1S/C18H20N6O4/c1-27-15-3-2-13-14(4-7-19-16(13)22-15)21-12-10-20-24(11-12)18(17(25)23-26)5-8-28-9-6-18/h2-4,7,10-11,26H,5-6,8-9H2,1H3,(H,23,25)(H,19,21,22)
InChIKeyKQRVPDFVTTYSCE-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.59
Rot. Bonds5

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

N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide (PubChem CID 172515952) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide
PubChem CID172515952
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC NameN-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide
SMILESCOc1ccc2c(Nc3cnn(C4(C(=O)NO)CCOCC4)c3)ccnc2n1
InChIInChI=1S/C18H20N6O4/c1-27-15-3-2-13-14(4-7-19-16(13)22-15)21-12-10-20-24(11-12)18(17(25)23-26)5-8-28-9-6-18/h2-4,7,10-11,26H,5-6,8-9H2,1H3,(H,23,25)(H,19,21,22)
InChIKeyKQRVPDFVTTYSCE-UHFFFAOYSA-N
XLogP1.59
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide (CID 172515952) is N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide is COc1ccc2c(Nc3cnn(C4(C(=O)NO)CCOCC4)c3)ccnc2n1.
What is the InChIKey of N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide?
The InChIKey is KQRVPDFVTTYSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-27-15-3-2-13-14(4-7-19-16(13)22-15)21-12-10-20-24(11-12)18(17(25)23-26)5-8-28-9-6-18/h2-4,7,10-11,26H,5-6,8-9H2,1H3,(H,23,25)(H,19,21,22).
What are the key properties of N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide?
N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[(7-methoxy-1,8-naphthyridin-4-yl)amino]pyrazol-1-yl]oxane-4-carboxamide is sourced from PubChem (CID 172515952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).