N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C20H31FN6O3 — CID 87209993

IUPACN-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(NC2CCCC2)n1
InChIInChI=1S/C20H31FN6O3/c1-13-22-18(24-16-8-4-5-9-16)17(21)19(23-13)25-26-20(29)15(11-27(30)12-28)10-14-6-2-3-7-14/h12,14-16,30H,2-11H2,1H3,(H,26,29)(H2,22,23,24,25)/t15-/m0/s1
InChIKeyUGAADOAYKDQPHT-HNNXBMFYSA-N
MW422.51 g/mol
LogP2.77
Rot. Bonds10

About N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 87209993) has the molecular formula C20H31FN6O3 and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID87209993
Molecular FormulaC20H31FN6O3
Molecular Weight422.51 g/mol
Exact Mass422.24
IUPAC NameN-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(NC2CCCC2)n1
InChIInChI=1S/C20H31FN6O3/c1-13-22-18(24-16-8-4-5-9-16)17(21)19(23-13)25-26-20(29)15(11-27(30)12-28)10-14-6-2-3-7-14/h12,14-16,30H,2-11H2,1H3,(H,26,29)(H2,22,23,24,25)/t15-/m0/s1
InChIKeyUGAADOAYKDQPHT-HNNXBMFYSA-N
XLogP2.77
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide 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 N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 87209993) is N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(NC2CCCC2)n1.
What is the InChIKey of N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is UGAADOAYKDQPHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H31FN6O3/c1-13-22-18(24-16-8-4-5-9-16)17(21)19(23-13)25-26-20(29)15(11-27(30)12-28)10-14-6-2-3-7-14/h12,14-16,30H,2-11H2,1H3,(H,26,29)(H2,22,23,24,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 422.51 g/mol, XLogP of 2.77, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 87209993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).