N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide

C20H21N5O2 — CID 10286983

IUPACN-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(Cc3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C20H21N5O2/c26-19(23-27)18-12-21-20(22-13-18)25-9-7-24(8-10-25)14-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-13,27H,7-10,14H2,(H,23,26)
InChIKeyXCYPPRCLPXVRLG-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.07
Rot. Bonds4

About N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 10286983) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID10286983
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(Cc3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C20H21N5O2/c26-19(23-27)18-12-21-20(22-13-18)25-9-7-24(8-10-25)14-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-13,27H,7-10,14H2,(H,23,26)
InChIKeyXCYPPRCLPXVRLG-UHFFFAOYSA-N
XLogP2.07
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide (CID 10286983) is N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCN(Cc3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is XCYPPRCLPXVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(23-27)18-12-21-20(22-13-18)25-9-7-24(8-10-25)14-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-13,27H,7-10,14H2,(H,23,26).
What are the key properties of N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 10286983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).