N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride

C17H21ClN6O2 — CID 166633115

IUPACN-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4cccnc4)C3)C2)nc1
InChIInChI=1S/C17H20N6O2.ClH/c24-15(21-25)14-7-19-16(20-8-14)23-5-3-17(12-23)10-22(11-17)9-13-2-1-4-18-6-13;/h1-2,4,6-8,25H,3,5,9-12H2,(H,21,24);1H
InChIKeyHPQFIJLRGGEISQ-UHFFFAOYSA-N
MW376.85 g/mol
LogP1.12
Rot. Bonds4

About N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride

N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 166633115) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID166633115
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC NameN-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CN(Cc4cccnc4)C3)C2)nc1
InChIInChI=1S/C17H20N6O2.ClH/c24-15(21-25)14-7-19-16(20-8-14)23-5-3-17(12-23)10-22(11-17)9-13-2-1-4-18-6-13;/h1-2,4,6-8,25H,3,5,9-12H2,(H,21,24);1H
InChIKeyHPQFIJLRGGEISQ-UHFFFAOYSA-N
XLogP1.12
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride (CID 166633115) is N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CN(Cc4cccnc4)C3)C2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is HPQFIJLRGGEISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2.ClH/c24-15(21-25)14-7-19-16(20-8-14)23-5-3-17(12-23)10-22(11-17)9-13-2-1-4-18-6-13;/h1-2,4,6-8,25H,3,5,9-12H2,(H,21,24);1H.
What are the key properties of N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride?
N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 376.85 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 166633115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).