N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide

C24H37N5O5 — CID 10390194

IUPACN-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(OC)n2)CC1
InChIInChI=1S/C24H37N5O5/c1-3-4-5-8-19(17-28(33)18-30)23(31)29-12-7-9-20(29)24(32)27-15-13-26(14-16-27)21-10-6-11-22(25-21)34-2/h6,10-11,18-20,33H,3-5,7-9,12-17H2,1-2H3/t19-,20+/m1/s1
InChIKeyOPIAGZSAVROCKZ-UXHICEINSA-N
MW475.59 g/mol
LogP1.77
Rot. Bonds11

About N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide (PubChem CID 10390194) has the molecular formula C24H37N5O5 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide
PubChem CID10390194
Molecular FormulaC24H37N5O5
Molecular Weight475.59 g/mol
Exact Mass475.28
IUPAC NameN-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(OC)n2)CC1
InChIInChI=1S/C24H37N5O5/c1-3-4-5-8-19(17-28(33)18-30)23(31)29-12-7-9-20(29)24(32)27-15-13-26(14-16-27)21-10-6-11-22(25-21)34-2/h6,10-11,18-20,33H,3-5,7-9,12-17H2,1-2H3/t19-,20+/m1/s1
InChIKeyOPIAGZSAVROCKZ-UXHICEINSA-N
XLogP1.77
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide (CID 10390194) is N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(OC)n2)CC1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide?
The InChIKey is OPIAGZSAVROCKZ-UXHICEINSA-N. The full InChI is InChI=1S/C24H37N5O5/c1-3-4-5-8-19(17-28(33)18-30)23(31)29-12-7-9-20(29)24(32)27-15-13-26(14-16-27)21-10-6-11-22(25-21)34-2/h6,10-11,18-20,33H,3-5,7-9,12-17H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide has a molecular weight of 475.59 g/mol, XLogP of 1.77, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide is sourced from PubChem (CID 10390194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).