N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide

C20H20N4O4 — CID 74975570

IUPACN-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(c3ncccn3)CC1)O2)NO
InChIInChI=1S/C20H20N4O4/c25-16-13-20(6-10-24(11-7-20)19-21-8-1-9-22-19)28-17-4-2-14(12-15(16)17)3-5-18(26)23-27/h1-5,8-9,12,27H,6-7,10-11,13H2,(H,23,26)
InChIKeyKSAVKTXWSTVFSU-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.00
Rot. Bonds3

About N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide

N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide (PubChem CID 74975570) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
PubChem CID74975570
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(c3ncccn3)CC1)O2)NO
InChIInChI=1S/C20H20N4O4/c25-16-13-20(6-10-24(11-7-20)19-21-8-1-9-22-19)28-17-4-2-14(12-15(16)17)3-5-18(26)23-27/h1-5,8-9,12,27H,6-7,10-11,13H2,(H,23,26)
InChIKeyKSAVKTXWSTVFSU-UHFFFAOYSA-N
XLogP2.00
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide?
The IUPAC name of N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide (CID 74975570) is N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide?
The canonical SMILES for N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide is O=C(C=Cc1ccc2c(c1)C(=O)CC1(CCN(c3ncccn3)CC1)O2)NO.
What is the InChIKey of N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide?
The InChIKey is KSAVKTXWSTVFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-16-13-20(6-10-24(11-7-20)19-21-8-1-9-22-19)28-17-4-2-14(12-15(16)17)3-5-18(26)23-27/h1-5,8-9,12,27H,6-7,10-11,13H2,(H,23,26).
What are the key properties of N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide?
N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide has a molecular weight of 380.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide is sourced from PubChem (CID 74975570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).