N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide

C13H18N2O3 — CID 110125491

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2ccncc2)[C@H]1O
InChIInChI=1S/C13H18N2O3/c1-18-11-4-2-3-10(12(11)16)15-13(17)9-5-7-14-8-6-9/h5-8,10-12,16H,2-4H2,1H3,(H,15,17)/t10-,11-,12-/m1/s1
InChIKeyHPMSMQWGIKDWPV-IJLUTSLNSA-N
MW250.30 g/mol
LogP0.74
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide (PubChem CID 110125491) 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-methoxycyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
PubChem CID110125491
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2ccncc2)[C@H]1O
InChIInChI=1S/C13H18N2O3/c1-18-11-4-2-3-10(12(11)16)15-13(17)9-5-7-14-8-6-9/h5-8,10-12,16H,2-4H2,1H3,(H,15,17)/t10-,11-,12-/m1/s1
InChIKeyHPMSMQWGIKDWPV-IJLUTSLNSA-N
XLogP0.74
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
CID 110125585
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
CID 110125986
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 110125559
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110145734
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
CID 110145684
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110125194

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide (CID 110125491) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide is CO[C@@H]1CCC[C@@H](NC(=O)c2ccncc2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide?
The InChIKey is HPMSMQWGIKDWPV-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-11-4-2-3-10(12(11)16)15-13(17)9-5-7-14-8-6-9/h5-8,10-12,16H,2-4H2,1H3,(H,15,17)/t10-,11-,12-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 110125491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).