N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide

C15H21N3O4 — CID 91790643

IUPACN'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
SMILESNC(=O)CCCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C15H21N3O4/c16-13(19)4-3-5-14(20)18-11-7-9-21-10-12(11)22-15-6-1-2-8-17-15/h1-2,6,8,11-12H,3-5,7,9-10H2,(H2,16,19)(H,18,20)/t11-,12-/m1/s1
InChIKeySMHSCAPCVDYYEM-VXGBXAGGSA-N
MW307.35 g/mol
LogP0.39
Rot. Bonds7

About N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide

N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide (PubChem CID 91790643) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide.

Molecular Properties

Compound NameN'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
PubChem CID91790643
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
SMILESNC(=O)CCCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C15H21N3O4/c16-13(19)4-3-5-14(20)18-11-7-9-21-10-12(11)22-15-6-1-2-8-17-15/h1-2,6,8,11-12H,3-5,7,9-10H2,(H2,16,19)(H,18,20)/t11-,12-/m1/s1
InChIKeySMHSCAPCVDYYEM-VXGBXAGGSA-N
XLogP0.39
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91790641
3-(1,2-oxazolidin-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91772511
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91787905
2-[methyl(pyridin-4-ylmethyl)amino]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91791415
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
CID 91792493
1-(pyrazol-1-ylmethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91770277
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91796712
5-(methoxymethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]thiophene-2-carboxamide
CID 91785982
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
2-phenylmethoxy-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91761107
2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91766386

Frequently Asked Questions

What is the IUPAC name of N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide?
The IUPAC name of N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide (CID 91790643) is N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide.
What is the SMILES notation for N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide?
The canonical SMILES for N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide is NC(=O)CCCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1.
What is the InChIKey of N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide?
The InChIKey is SMHSCAPCVDYYEM-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21N3O4/c16-13(19)4-3-5-14(20)18-11-7-9-21-10-12(11)22-15-6-1-2-8-17-15/h1-2,6,8,11-12H,3-5,7,9-10H2,(H2,16,19)(H,18,20)/t11-,12-/m1/s1.
What are the key properties of N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide?
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide has a molecular weight of 307.35 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide is sourced from PubChem (CID 91790643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).