N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

C18H22N6O3 — CID 118005584

IUPACN-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCNC(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)(c2ccccc2)CC1
InChIInChI=1S/C18H22N6O3/c1-19-17(26)24-9-7-18(8-10-24,14-5-3-2-4-6-14)22-16-20-11-13(12-21-16)15(25)23-27/h2-6,11-12,27H,7-10H2,1H3,(H,19,26)(H,23,25)(H,20,21,22)
InChIKeyLXVZXBJRLLHSFZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.34
Rot. Bonds4

About N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 118005584) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID118005584
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESCNC(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)(c2ccccc2)CC1
InChIInChI=1S/C18H22N6O3/c1-19-17(26)24-9-7-18(8-10-24,14-5-3-2-4-6-14)22-16-20-11-13(12-21-16)15(25)23-27/h2-6,11-12,27H,7-10H2,1H3,(H,19,26)(H,23,25)(H,20,21,22)
InChIKeyLXVZXBJRLLHSFZ-UHFFFAOYSA-N
XLogP1.34
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.34
H-Bond Donors ≤ 54
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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Related Compounds

N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 155469324
benzyl 4-[[5-(hydroxycarbamoyl)pyrimidin-2-yl]amino]-4-phenylpiperidine-1-carboxylate
CID 118005857
2-[[1-[2-(3a,7a-dihydro-3H-indol-2-yl)acetyl]-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 123908891
ethyl 2-[(1-acetyl-4-phenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
CID 118016639
N-hydroxy-2-[[4-(2-methylphenyl)-1-[methyl(phenyl)carbamoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 155469284
2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-nitrosopyrimidine-5-carboxamide
CID 118016848
ethyl 2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 118016643
ethane;ethyl 2-[[1-[(3-fluorophenyl)carbamoyl]-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxylate
CID 144829105
N-hydroxy-5-iodo-6-[(1-phenylcyclopropyl)amino]pyridine-3-carboxamide
CID 145095862
2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 74763717
ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
CID 145295764
2-[(1-phenylcyclopropyl)amino]pyrimidin-5-ol
CID 139332383

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 118005584) is N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is CNC(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)(c2ccccc2)CC1.
What is the InChIKey of N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is LXVZXBJRLLHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-19-17(26)24-9-7-18(8-10-24,14-5-3-2-4-6-14)22-16-20-11-13(12-21-16)15(25)23-27/h2-6,11-12,27H,7-10H2,1H3,(H,19,26)(H,23,25)(H,20,21,22).
What are the key properties of N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118005584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).