(2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide

C20H31FN4O3 — CID 159937964

IUPAC(2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
SMILESCCCCc1nc(C)nc(CNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C20H31FN4O3/c1-3-4-9-17-19(21)18(24-14(2)23-17)11-22-20(27)16(12-25(28)13-26)10-15-7-5-6-8-15/h13,15-16,28H,3-12H2,1-2H3,(H,22,27)/t16-/m1/s1
InChIKeyOAMRAKBWBFOHCF-MRXNPFEDSA-N
MW394.49 g/mol
LogP2.93
Rot. Bonds11

About (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide

(2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide (PubChem CID 159937964) has the molecular formula C20H31FN4O3 and a molecular weight of 394.49 g/mol. Its IUPAC name is (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
PubChem CID159937964
Molecular FormulaC20H31FN4O3
Molecular Weight394.49 g/mol
Exact Mass394.24
IUPAC Name(2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
SMILESCCCCc1nc(C)nc(CNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C20H31FN4O3/c1-3-4-9-17-19(21)18(24-14(2)23-17)11-22-20(27)16(12-25(28)13-26)10-15-7-5-6-8-15/h13,15-16,28H,3-12H2,1-2H3,(H,22,27)/t16-/m1/s1
InChIKeyOAMRAKBWBFOHCF-MRXNPFEDSA-N
XLogP2.93
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide (CID 159937964) is (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide is CCCCc1nc(C)nc(CNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F.
What is the InChIKey of (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is OAMRAKBWBFOHCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31FN4O3/c1-3-4-9-17-19(21)18(24-14(2)23-17)11-22-20(27)16(12-25(28)13-26)10-15-7-5-6-8-15/h13,15-16,28H,3-12H2,1-2H3,(H,22,27)/t16-/m1/s1.
What are the key properties of (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide?
(2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 394.49 g/mol, XLogP of 2.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6-butyl-5-fluoro-2-methylpyrimidin-4-yl)methyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 159937964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).