(2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide

C21H34FN7O4 — CID 58000663

IUPAC(2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N[C@H](C)C(=O)N(C)C)n1
InChIInChI=1S/C21H34FN7O4/c1-5-16-24-18(23-13(2)21(32)28(3)4)17(22)19(25-16)26-27-20(31)15(11-29(33)12-30)10-14-8-6-7-9-14/h12-15,33H,5-11H2,1-4H3,(H,27,31)(H2,23,24,25,26)/t13-,15-/m1/s1
InChIKeyPLXZZYWIRFOSLC-UKRRQHHQSA-N
MW467.55 g/mol
LogP1.55
Rot. Bonds12

About (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide

(2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 58000663) has the molecular formula C21H34FN7O4 and a molecular weight of 467.55 g/mol. Its IUPAC name is (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID58000663
Molecular FormulaC21H34FN7O4
Molecular Weight467.55 g/mol
Exact Mass467.27
IUPAC Name(2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N[C@H](C)C(=O)N(C)C)n1
InChIInChI=1S/C21H34FN7O4/c1-5-16-24-18(23-13(2)21(32)28(3)4)17(22)19(25-16)26-27-20(31)15(11-29(33)12-30)10-14-8-6-7-9-14/h12-15,33H,5-11H2,1-4H3,(H,27,31)(H2,23,24,25,26)/t13-,15-/m1/s1
InChIKeyPLXZZYWIRFOSLC-UKRRQHHQSA-N
XLogP1.55
TPSA139.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 51.55
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'}

Analyze (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide (CID 58000663) is (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide is CCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N[C@H](C)C(=O)N(C)C)n1.
What is the InChIKey of (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is PLXZZYWIRFOSLC-UKRRQHHQSA-N. The full InChI is InChI=1S/C21H34FN7O4/c1-5-16-24-18(23-13(2)21(32)28(3)4)17(22)19(25-16)26-27-20(31)15(11-29(33)12-30)10-14-8-6-7-9-14/h12-15,33H,5-11H2,1-4H3,(H,27,31)(H2,23,24,25,26)/t13-,15-/m1/s1.
What are the key properties of (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
(2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 467.55 g/mol, XLogP of 1.55, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]hydrazinyl]-2-ethyl-5-fluoropyrimidin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 58000663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).