N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide

C17H25N3O3 — CID 110127624

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H25N3O3/c1-12-13(4-3-7-18-12)17(22)19(2)14-5-6-15(16(14)21)20-8-10-23-11-9-20/h3-4,7,14-16,21H,5-6,8-11H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyLCPGPYWAVBRUMS-BZUAXINKSA-N
MW319.40 g/mol
LogP0.69
Rot. Bonds3

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 110127624) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID110127624
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H25N3O3/c1-12-13(4-3-7-18-12)17(22)19(2)14-5-6-15(16(14)21)20-8-10-23-11-9-20/h3-4,7,14-16,21H,5-6,8-11H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyLCPGPYWAVBRUMS-BZUAXINKSA-N
XLogP0.69
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide (CID 110127624) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide is Cc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is LCPGPYWAVBRUMS-BZUAXINKSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-13(4-3-7-18-12)17(22)19(2)14-5-6-15(16(14)21)20-8-10-23-11-9-20/h3-4,7,14-16,21H,5-6,8-11H2,1-2H3/t14-,15-,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 110127624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).