N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C17H26ClFN6O3 — CID 58000546

IUPACN-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCCCNc1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C17H26ClFN6O3/c1-2-7-20-14-13(19)15(22-17(18)21-14)23-24-16(27)12(9-25(28)10-26)8-11-5-3-4-6-11/h10-12,28H,2-9H2,1H3,(H,24,27)(H2,20,21,22,23)/t12-/m1/s1
InChIKeyUVXPGZSZQNQBKA-GFCCVEGCSA-N
MW416.89 g/mol
LogP2.58
Rot. Bonds11

About N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000546) has the molecular formula C17H26ClFN6O3 and a molecular weight of 416.89 g/mol. Its IUPAC name is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000546
Molecular FormulaC17H26ClFN6O3
Molecular Weight416.89 g/mol
Exact Mass416.17
IUPAC NameN-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCCCNc1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C17H26ClFN6O3/c1-2-7-20-14-13(19)15(22-17(18)21-14)23-24-16(27)12(9-25(28)10-26)8-11-5-3-4-6-11/h10-12,28H,2-9H2,1H3,(H,24,27)(H2,20,21,22,23)/t12-/m1/s1
InChIKeyUVXPGZSZQNQBKA-GFCCVEGCSA-N
XLogP2.58
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 52.58
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'}

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Related Compounds

CID 10022661
CID 10022661
CID 10316944
CID 10316944
CID 10360008
CID 10360008
CID 20704682
CID 20704682
CID 25265770
CID 25265770
CID 58000511
CID 58000511
CID 58000513
CID 58000513
CID 58000514
CID 58000514
CID 58000515
CID 58000515
CID 58000516
CID 58000516
CID 58000517
CID 58000517
CID 58000518
CID 58000518

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 58000546) is N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is CCCNc1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F.
What is the InChIKey of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is UVXPGZSZQNQBKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26ClFN6O3/c1-2-7-20-14-13(19)15(22-17(18)21-14)23-24-16(27)12(9-25(28)10-26)8-11-5-3-4-6-11/h10-12,28H,2-9H2,1H3,(H,24,27)(H2,20,21,22,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 416.89 g/mol, XLogP of 2.58, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).