N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C19H29FN6O4 — CID 87210178

IUPACN-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CC[C@H]2CO)n1
InChIInChI=1S/C19H29FN6O4/c1-12-21-17(16(20)18(22-12)26-7-6-15(26)10-27)23-24-19(29)14(9-25(30)11-28)8-13-4-2-3-5-13/h11,13-15,27,30H,2-10H2,1H3,(H,24,29)(H,21,22,23)/t14-,15-/m0/s1
InChIKeyCLVIUFIJIYITRE-GJZGRUSLSA-N
MW424.48 g/mol
LogP0.98
Rot. Bonds10

About N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 87210178) has the molecular formula C19H29FN6O4 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID87210178
Molecular FormulaC19H29FN6O4
Molecular Weight424.48 g/mol
Exact Mass424.22
IUPAC NameN-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CC[C@H]2CO)n1
InChIInChI=1S/C19H29FN6O4/c1-12-21-17(16(20)18(22-12)26-7-6-15(26)10-27)23-24-19(29)14(9-25(30)11-28)8-13-4-2-3-5-13/h11,13-15,27,30H,2-10H2,1H3,(H,24,29)(H,21,22,23)/t14-,15-/m0/s1
InChIKeyCLVIUFIJIYITRE-GJZGRUSLSA-N
XLogP0.98
TPSA130.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 87210178) is N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CC[C@H]2CO)n1.
What is the InChIKey of N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is CLVIUFIJIYITRE-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H29FN6O4/c1-12-21-17(16(20)18(22-12)26-7-6-15(26)10-27)23-24-19(29)14(9-25(30)11-28)8-13-4-2-3-5-13/h11,13-15,27,30H,2-10H2,1H3,(H,24,29)(H,21,22,23)/t14-,15-/m0/s1.
What are the key properties of N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 424.48 g/mol, XLogP of 0.98, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(2S)-2-(hydroxymethyl)azetidin-1-yl]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 87210178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).