N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide

C20H25N5O3 — CID 118005706

IUPACN-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESC[C@@H](C(=O)N1CCC(C)(Nc2ncc(C(=O)NO)cn2)CC1)c1ccccc1
InChIInChI=1S/C20H25N5O3/c1-14(15-6-4-3-5-7-15)18(27)25-10-8-20(2,9-11-25)23-19-21-12-16(13-22-19)17(26)24-28/h3-7,12-14,28H,8-11H2,1-2H3,(H,24,26)(H,21,22,23)/t14-/m1/s1
InChIKeyXGGOXABAXXDPGN-CQSZACIVSA-N
MW383.45 g/mol
LogP2.19
Rot. Bonds5

About N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 118005706) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID118005706
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESC[C@@H](C(=O)N1CCC(C)(Nc2ncc(C(=O)NO)cn2)CC1)c1ccccc1
InChIInChI=1S/C20H25N5O3/c1-14(15-6-4-3-5-7-15)18(27)25-10-8-20(2,9-11-25)23-19-21-12-16(13-22-19)17(26)24-28/h3-7,12-14,28H,8-11H2,1-2H3,(H,24,26)(H,21,22,23)/t14-/m1/s1
InChIKeyXGGOXABAXXDPGN-CQSZACIVSA-N
XLogP2.19
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 118005706) is N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide is C[C@@H](C(=O)N1CCC(C)(Nc2ncc(C(=O)NO)cn2)CC1)c1ccccc1.
What is the InChIKey of N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is XGGOXABAXXDPGN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14(15-6-4-3-5-7-15)18(27)25-10-8-20(2,9-11-25)23-19-21-12-16(13-22-19)17(26)24-28/h3-7,12-14,28H,8-11H2,1-2H3,(H,24,26)(H,21,22,23)/t14-/m1/s1.
What are the key properties of N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-methyl-1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118005706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).