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

C17H26F2N6O3 — CID 58000518

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCN(C)c1nc(CF)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C17H26F2N6O3/c1-24(2)16-14(19)15(20-13(8-18)21-16)22-23-17(27)12(9-25(28)10-26)7-11-5-3-4-6-11/h10-12,28H,3-9H2,1-2H3,(H,23,27)(H,20,21,22)/t12-/m1/s1
InChIKeyXMLSOQQXAUXJQY-GFCCVEGCSA-N
MW400.43 g/mol
LogP1.64
Rot. Bonds10

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

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000518) has the molecular formula C17H26F2N6O3 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000518
Molecular FormulaC17H26F2N6O3
Molecular Weight400.43 g/mol
Exact Mass400.20
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCN(C)c1nc(CF)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F
InChIInChI=1S/C17H26F2N6O3/c1-24(2)16-14(19)15(20-13(8-18)21-16)22-23-17(27)12(9-25(28)10-26)7-11-5-3-4-6-11/h10-12,28H,3-9H2,1-2H3,(H,23,27)(H,20,21,22)/t12-/m1/s1
InChIKeyXMLSOQQXAUXJQY-GFCCVEGCSA-N
XLogP1.64
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000518) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is CN(C)c1nc(CF)nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1F.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is XMLSOQQXAUXJQY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26F2N6O3/c1-24(2)16-14(19)15(20-13(8-18)21-16)22-23-17(27)12(9-25(28)10-26)7-11-5-3-4-6-11/h10-12,28H,3-9H2,1-2H3,(H,23,27)(H,20,21,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 400.43 g/mol, XLogP of 1.64, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(dimethylamino)-5-fluoro-2-(fluoromethyl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).