N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide

C21H17N5O2 — CID 56848273

IUPACN-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide
SMILESO=C(NO)c1ccc(C2(c3nccc(-c4cnc5ccccn45)n3)CC2)cc1
InChIInChI=1S/C21H17N5O2/c27-19(25-28)14-4-6-15(7-5-14)21(9-10-21)20-22-11-8-16(24-20)17-13-23-18-3-1-2-12-26(17)18/h1-8,11-13,28H,9-10H2,(H,25,27)
InChIKeyDHRGTLNSRXKKIL-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.99
Rot. Bonds4

About N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide

N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide (PubChem CID 56848273) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide
PubChem CID56848273
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide
SMILESO=C(NO)c1ccc(C2(c3nccc(-c4cnc5ccccn45)n3)CC2)cc1
InChIInChI=1S/C21H17N5O2/c27-19(25-28)14-4-6-15(7-5-14)21(9-10-21)20-22-11-8-16(24-20)17-13-23-18-3-1-2-12-26(17)18/h1-8,11-13,28H,9-10H2,(H,25,27)
InChIKeyDHRGTLNSRXKKIL-UHFFFAOYSA-N
XLogP2.99
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.99
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-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide?
The IUPAC name of N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide (CID 56848273) is N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide?
The canonical SMILES for N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide is O=C(NO)c1ccc(C2(c3nccc(-c4cnc5ccccn45)n3)CC2)cc1.
What is the InChIKey of N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide?
The InChIKey is DHRGTLNSRXKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-19(25-28)14-4-6-15(7-5-14)21(9-10-21)20-22-11-8-16(24-20)17-13-23-18-3-1-2-12-26(17)18/h1-8,11-13,28H,9-10H2,(H,25,27).
What are the key properties of N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide?
N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[1-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)cyclopropyl]benzamide is sourced from PubChem (CID 56848273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).