N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide

C14H21N3O3 — CID 91782191

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)N[C@@H]1COCC[C@H]1O)Cc1ccccn1
InChIInChI=1S/C14H21N3O3/c1-17(8-11-4-2-3-6-15-11)9-14(19)16-12-10-20-7-5-13(12)18/h2-4,6,12-13,18H,5,7-10H2,1H3,(H,16,19)/t12-,13-/m1/s1
InChIKeyYBHHNFPKTMCTFV-CHWSQXEVSA-N
MW279.34 g/mol
LogP-0.22
Rot. Bonds5

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 91782191) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
PubChem CID91782191
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)N[C@@H]1COCC[C@H]1O)Cc1ccccn1
InChIInChI=1S/C14H21N3O3/c1-17(8-11-4-2-3-6-15-11)9-14(19)16-12-10-20-7-5-13(12)18/h2-4,6,12-13,18H,5,7-10H2,1H3,(H,16,19)/t12-,13-/m1/s1
InChIKeyYBHHNFPKTMCTFV-CHWSQXEVSA-N
XLogP-0.22
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
methyl (2R)-2-[[(2R)-2-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]acetyl]amino]propanoyl]amino]propanoate
CID 155540468
methyl (2R)-2-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]propanoyl]amino]propanoate
CID 118001065
N-(3-hydroxypropyl)-N'-(2-pyridinylmethyl)ethanediamide
CID 2849922
Pyridin-2-ylmethyl-carbamic acid (E)-(2S,3R)-2-(2,2-dimethyl-propionylamino)-3-hydroxy-octadec-4-enyl ester
CID 44301536
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765
N'-butan-2-yl-N-(pyridin-2-ylmethyl)oxamide
CID 3149551
N-[1-(hydroxymethyl)propyl]-6-oxo-N-(pyridin-2-ylmethyl)-1,6-dihydropyridine-3-carboxamide
CID 46988545
N-[(2R)-1-hydroxybutan-2-yl]-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 52386659
3-((2-Hydroxy-3-morpholinopropyl)amino)-4-((pyridin-2-ylmethyl)amino)cyclobut-3-ene-1,2-dione
CID 53370200
1-(2-Hydroxy-3-methoxypropyl)-1-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 53505052
1-(4-ethylmorpholin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 53592771

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide (CID 91782191) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide is CN(CC(=O)N[C@@H]1COCC[C@H]1O)Cc1ccccn1.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is YBHHNFPKTMCTFV-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(8-11-4-2-3-6-15-11)9-14(19)16-12-10-20-7-5-13(12)18/h2-4,6,12-13,18H,5,7-10H2,1H3,(H,16,19)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 91782191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).