N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

C19H25ClN6O2 — CID 162657336

IUPACN-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccncc4)C3)CC2)nc1
InChIInChI=1S/C19H24N6O2.ClH/c26-17(23-27)16-11-21-18(22-12-16)25-9-4-19(5-10-25)3-8-24(14-19)13-15-1-6-20-7-2-15;/h1-2,6-7,11-12,27H,3-5,8-10,13-14H2,(H,23,26);1H
InChIKeyVPANKZDTNKPCCA-UHFFFAOYSA-N
MW404.90 g/mol
LogP1.90
Rot. Bonds4

About N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 162657336) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID162657336
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC NameN-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccncc4)C3)CC2)nc1
InChIInChI=1S/C19H24N6O2.ClH/c26-17(23-27)16-11-21-18(22-12-16)25-9-4-19(5-10-25)3-8-24(14-19)13-15-1-6-20-7-2-15;/h1-2,6-7,11-12,27H,3-5,8-10,13-14H2,(H,23,26);1H
InChIKeyVPANKZDTNKPCCA-UHFFFAOYSA-N
XLogP1.90
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 51.90
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-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (CID 162657336) is N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4ccncc4)C3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is VPANKZDTNKPCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2.ClH/c26-17(23-27)16-11-21-18(22-12-16)25-9-4-19(5-10-25)3-8-24(14-19)13-15-1-6-20-7-2-15;/h1-2,6-7,11-12,27H,3-5,8-10,13-14H2,(H,23,26);1H.
What are the key properties of N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
N-hydroxy-2-[2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 1.90, 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-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162657336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).