N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane

C23H39N3O3 — CID 159961798

IUPACN-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane
SMILESC.CCCCCCCCCC(=O)N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1
InChIInChI=1S/C22H35N3O3.CH4/c1-2-3-4-5-6-7-8-11-19(26)24-20(22(28)25-16-9-10-17-25)21(27)18-12-14-23-15-13-18;/h12-15,20-21,27H,2-11,16-17H2,1H3,(H,24,26);1H4/t20-,21+;/m1./s1
InChIKeyODKSEGQDVNXPCK-BHDTVMLSSA-N
MW405.58 g/mol
LogP4.00
Rot. Bonds12

About N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane

N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane (PubChem CID 159961798) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane
PubChem CID159961798
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC NameN-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane
SMILESC.CCCCCCCCCC(=O)N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1
InChIInChI=1S/C22H35N3O3.CH4/c1-2-3-4-5-6-7-8-11-19(26)24-20(22(28)25-16-9-10-17-25)21(27)18-12-14-23-15-13-18;/h12-15,20-21,27H,2-11,16-17H2,1H3,(H,24,26);1H4/t20-,21+;/m1./s1
InChIKeyODKSEGQDVNXPCK-BHDTVMLSSA-N
XLogP4.00
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane?
The IUPAC name of N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane (CID 159961798) is N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane is C.CCCCCCCCCC(=O)N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane?
The InChIKey is ODKSEGQDVNXPCK-BHDTVMLSSA-N. The full InChI is InChI=1S/C22H35N3O3.CH4/c1-2-3-4-5-6-7-8-11-19(26)24-20(22(28)25-16-9-10-17-25)21(27)18-12-14-23-15-13-18;/h12-15,20-21,27H,2-11,16-17H2,1H3,(H,24,26);1H4/t20-,21+;/m1./s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane?
N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane has a molecular weight of 405.58 g/mol, XLogP of 4.00, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]decanamide;methane is sourced from PubChem (CID 159961798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).