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'}

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

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

Launch Full Analysis

Related Compounds

tert-butyl N-[6-[[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]amino]-6-oxohexyl]carbamate;methane
CID 160672089
(2R,3S)-2-[amino(hexyl)amino]-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
CID 118671114
N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 70894299
tert-butyl N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)carbamate;hydrochloride
CID 141300138
N-[(1R,2S)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]-6-[4-[4-[4-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]butanoylamino]butanoylamino]butanoylamino]hexanamide
CID 25008340
N-(1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl)-4-methoxybenzamide
CID 68955974
2-(benzylamino)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;dihydrochloride
CID 68956648
(2R,3S)-2-[(3,4-dichlorophenyl)methylamino]-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 161477369
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198

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).