N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide

C21H20N4O2 — CID 59783464

IUPACN-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide
SMILESCN(c1ncc(C(=O)NO)cn1)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H20N4O2/c1-25(21-22-12-16(13-23-21)20(26)24-27)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,12-13,19,27H,10-11H2,1H3,(H,24,26)
InChIKeyMXYMRBLFKXNNMZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.92
Rot. Bonds3

About N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide

N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide (PubChem CID 59783464) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide
PubChem CID59783464
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide
SMILESCN(c1ncc(C(=O)NO)cn1)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H20N4O2/c1-25(21-22-12-16(13-23-21)20(26)24-27)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,12-13,19,27H,10-11H2,1H3,(H,24,26)
InChIKeyMXYMRBLFKXNNMZ-UHFFFAOYSA-N
XLogP2.92
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide (CID 59783464) is N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide is CN(c1ncc(C(=O)NO)cn1)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide?
The InChIKey is MXYMRBLFKXNNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(21-22-12-16(13-23-21)20(26)24-27)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,12-13,19,27H,10-11H2,1H3,(H,24,26).
What are the key properties of N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 59783464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).