N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide

C13H18N2O3 — CID 110125246

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
SMILESCO[C@@H]1CC[C@@H](N(C)C(=O)c2cccnc2)[C@H]1O
InChIInChI=1S/C13H18N2O3/c1-15(10-5-6-11(18-2)12(10)16)13(17)9-4-3-7-14-8-9/h3-4,7-8,10-12,16H,5-6H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyOTXGYYDFVMTLRG-IJLUTSLNSA-N
MW250.30 g/mol
LogP0.69
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide (PubChem CID 110125246) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
PubChem CID110125246
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
SMILESCO[C@@H]1CC[C@@H](N(C)C(=O)c2cccnc2)[C@H]1O
InChIInChI=1S/C13H18N2O3/c1-15(10-5-6-11(18-2)12(10)16)13(17)9-4-3-7-14-8-9/h3-4,7-8,10-12,16H,5-6H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyOTXGYYDFVMTLRG-IJLUTSLNSA-N
XLogP0.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide
CID 110125598
N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122394
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N-methylpyrimidine-4-carboxamide
CID 110126055
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylpyridazine-3-carboxamide
CID 110146597
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide
CID 79111832
(111C)methyl pyridine-3-carboxylate
CID 11309537
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166179
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110125801
CID 22254315
CID 22254315
N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122946

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide (CID 110125246) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide is CO[C@@H]1CC[C@@H](N(C)C(=O)c2cccnc2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide?
The InChIKey is OTXGYYDFVMTLRG-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(10-5-6-11(18-2)12(10)16)13(17)9-4-3-7-14-8-9/h3-4,7-8,10-12,16H,5-6H2,1-2H3/t10-,11-,12-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 110125246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).