N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C19H29FN6O3 — CID 87209974

IUPACN-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCC2)n1
InChIInChI=1S/C19H29FN6O3/c1-2-15-21-17(16(20)18(22-15)25-8-5-9-25)23-24-19(28)14(11-26(29)12-27)10-13-6-3-4-7-13/h12-14,29H,2-11H2,1H3,(H,24,28)(H,21,22,23)/t14-/m0/s1
InChIKeyMINXFMOKXTYWHS-AWEZNQCLSA-N
MW408.48 g/mol
LogP1.88
Rot. Bonds10

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

N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 87209974) has the molecular formula C19H29FN6O3 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID87209974
Molecular FormulaC19H29FN6O3
Molecular Weight408.48 g/mol
Exact Mass408.23
IUPAC NameN-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCC2)n1
InChIInChI=1S/C19H29FN6O3/c1-2-15-21-17(16(20)18(22-15)25-8-5-9-25)23-24-19(28)14(11-26(29)12-27)10-13-6-3-4-7-13/h12-14,29H,2-11H2,1H3,(H,24,28)(H,21,22,23)/t14-/m0/s1
InChIKeyMINXFMOKXTYWHS-AWEZNQCLSA-N
XLogP1.88
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.88
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[(2S)-2-(cyclopentylmethyl)-3-[2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87209913
N-[2-(cyclopentylmethyl)-3-[2-[6-[2-(dimethylamino)ethyl-methylamino]-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 91032015
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(1,3-thiazolidin-3-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000775
N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3R)-3-methylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 143803878
N-[(2S)-3-[2-[2-chloro-5-fluoro-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87210170
N-[(2R)-3-[2-[2-chloro-6-[3-(dimethylamino)-3-ethylazetidin-1-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000603
N-[(2R)-3-[2-[2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 89412907
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-fluoro-2-methylsulfanylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000530
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
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-5-fluoro-2-methylsulfanylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000684
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(3-methyl-3-pyrrolidin-1-ylazetidin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000601
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87210436

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 87209974) is N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is CCc1nc(NNC(=O)[C@@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCC2)n1.
What is the InChIKey of N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is MINXFMOKXTYWHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29FN6O3/c1-2-15-21-17(16(20)18(22-15)25-8-5-9-25)23-24-19(28)14(11-26(29)12-27)10-13-6-3-4-7-13/h12-14,29H,2-11H2,1H3,(H,24,28)(H,21,22,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 408.48 g/mol, XLogP of 1.88, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[2-[6-(azetidin-1-yl)-2-ethyl-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 87209974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).