N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide

C15H22N2O5 — CID 155996222

IUPACN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)ccn1
InChIInChI=1S/C15H22N2O5/c1-19-12-9-22-8-11(14(12)21-3)7-17-15(18)10-4-5-16-13(6-10)20-2/h4-6,11-12,14H,7-9H2,1-3H3,(H,17,18)/t11-,12-,14+/m1/s1
InChIKeyOZHMMSXTNFUPPJ-BZPMIXESSA-N
MW310.35 g/mol
LogP0.50
Rot. Bonds6

About N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide

N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide (PubChem CID 155996222) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide
PubChem CID155996222
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC NameN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)ccn1
InChIInChI=1S/C15H22N2O5/c1-19-12-9-22-8-11(14(12)21-3)7-17-15(18)10-4-5-16-13(6-10)20-2/h4-6,11-12,14H,7-9H2,1-3H3,(H,17,18)/t11-,12-,14+/m1/s1
InChIKeyOZHMMSXTNFUPPJ-BZPMIXESSA-N
XLogP0.50
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide with MolForge

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Related Compounds

2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
CID 154910821
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 175655125
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide
CID 131929012
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 126784792
2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95214166
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide
CID 122293459

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide (CID 155996222) is N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)ccn1.
What is the InChIKey of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is OZHMMSXTNFUPPJ-BZPMIXESSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-19-12-9-22-8-11(14(12)21-3)7-17-15(18)10-4-5-16-13(6-10)20-2/h4-6,11-12,14H,7-9H2,1-3H3,(H,17,18)/t11-,12-,14+/m1/s1.
What are the key properties of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide?
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 155996222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).