N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide

C14H20N2O4 — CID 91760856

IUPACN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C14H20N2O4/c1-10-3-2-5-15-13(10)14(18)16-11-4-7-19-9-12(11)20-8-6-17/h2-3,5,11-12,17H,4,6-9H2,1H3,(H,16,18)/t11-,12-/m1/s1
InChIKeyNLWQYHGEZPCQPU-VXGBXAGGSA-N
MW280.32 g/mol
LogP0.29
Rot. Bonds5

About N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide (PubChem CID 91760856) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
PubChem CID91760856
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C14H20N2O4/c1-10-3-2-5-15-13(10)14(18)16-11-4-7-19-9-12(11)20-8-6-17/h2-3,5,11-12,17H,4,6-9H2,1H3,(H,16,18)/t11-,12-/m1/s1
InChIKeyNLWQYHGEZPCQPU-VXGBXAGGSA-N
XLogP0.29
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide
CID 91781227
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 156608304
2-[(3S,4R)-4-[(2-ethoxypyridine-3-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91783970
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91780754
3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide
CID 155918781
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786206
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide (CID 91760856) is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)N[C@@H]1CCOC[C@H]1OCCO.
What is the InChIKey of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is NLWQYHGEZPCQPU-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-3-2-5-15-13(10)14(18)16-11-4-7-19-9-12(11)20-8-6-17/h2-3,5,11-12,17H,4,6-9H2,1H3,(H,16,18)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide?
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 91760856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).