N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide

C16H26N4O3 — CID 91783197

IUPACN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cnccn1
InChIInChI=1S/C16H26N4O3/c1-20(2)8-10-23-15-12-22-9-5-14(15)19-16(21)4-3-13-11-17-6-7-18-13/h6-7,11,14-15H,3-5,8-10,12H2,1-2H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyIAEGXRGLHWWAKC-HUUCEWRRSA-N
MW322.41 g/mol
LogP0.26
Rot. Bonds8

About N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide (PubChem CID 91783197) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide
PubChem CID91783197
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cnccn1
InChIInChI=1S/C16H26N4O3/c1-20(2)8-10-23-15-12-22-9-5-14(15)19-16(21)4-3-13-11-17-6-7-18-13/h6-7,11,14-15H,3-5,8-10,12H2,1-2H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyIAEGXRGLHWWAKC-HUUCEWRRSA-N
XLogP0.26
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide (CID 91783197) is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide is CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cnccn1.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide?
The InChIKey is IAEGXRGLHWWAKC-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-20(2)8-10-23-15-12-22-9-5-14(15)19-16(21)4-3-13-11-17-6-7-18-13/h6-7,11,14-15H,3-5,8-10,12H2,1-2H3,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide?
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 91783197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).