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

C17H25FN6O3 — CID 10022661

IUPACN-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1ncc(F)c(N2CCC2)n1
InChIInChI=1S/C17H25FN6O3/c18-14-9-19-17(20-15(14)23-6-3-7-23)22-21-16(26)13(10-24(27)11-25)8-12-4-1-2-5-12/h9,11-13,27H,1-8,10H2,(H,21,26)(H,19,20,22)/t13-/m1/s1
InChIKeyRJWTUPRZOZUNKF-CYBMUJFWSA-N
MW380.42 g/mol
LogP1.31
Rot. Bonds9

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

N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 10022661) has the molecular formula C17H25FN6O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID10022661
Molecular FormulaC17H25FN6O3
Molecular Weight380.42 g/mol
Exact Mass380.20
IUPAC NameN-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1ncc(F)c(N2CCC2)n1
InChIInChI=1S/C17H25FN6O3/c18-14-9-19-17(20-15(14)23-6-3-7-23)22-21-16(26)13(10-24(27)11-25)8-12-4-1-2-5-12/h9,11-13,27H,1-8,10H2,(H,21,26)(H,19,20,22)/t13-/m1/s1
InChIKeyRJWTUPRZOZUNKF-CYBMUJFWSA-N
XLogP1.31
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.31
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)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 10022661) is N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1ncc(F)c(N2CCC2)n1.
What is the InChIKey of N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is RJWTUPRZOZUNKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25FN6O3/c18-14-9-19-17(20-15(14)23-6-3-7-23)22-21-16(26)13(10-24(27)11-25)8-12-4-1-2-5-12/h9,11-13,27H,1-8,10H2,(H,21,26)(H,19,20,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 380.42 g/mol, XLogP of 1.31, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[4-(azetidin-1-yl)-5-fluoropyrimidin-2-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 10022661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).