[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone

C18H28N2O4 — CID 155998363

IUPAC[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1
InChIInChI=1S/C18H28N2O4/c21-16-8-12-20(18(23)15-6-9-19-10-7-15)11-4-2-1-3-5-13-24-14-17(16)22/h6-7,9-10,16-17,21-22H,1-5,8,11-14H2/t16-,17+/m0/s1
InChIKeyOVTFDOBHWNWWHV-DLBZAZTESA-N
MW336.43 g/mol
LogP1.62
Rot. Bonds1

About [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone

[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone (PubChem CID 155998363) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone
PubChem CID155998363
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1
InChIInChI=1S/C18H28N2O4/c21-16-8-12-20(18(23)15-6-9-19-10-7-15)11-4-2-1-3-5-13-24-14-17(16)22/h6-7,9-10,16-17,21-22H,1-5,8,11-14H2/t16-,17+/m0/s1
InChIKeyOVTFDOBHWNWWHV-DLBZAZTESA-N
XLogP1.62
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(1-methylpyrazol-4-yl)methanone
CID 155998371
5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one
CID 155998389
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(3-methylimidazol-4-yl)methanone
CID 155998373
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 155998395
1,3-oxazinan-3-yl(pyridin-4-yl)methanone
CID 110739628
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
CID 95728578
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
(10R,11S)-10,11-dihydroxy-14-(pyridine-4-carbonyl)-3-(pyridin-2-ylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993094

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone (CID 155998363) is [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1.
What is the InChIKey of [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone?
The InChIKey is OVTFDOBHWNWWHV-DLBZAZTESA-N. The full InChI is InChI=1S/C18H28N2O4/c21-16-8-12-20(18(23)15-6-9-19-10-7-15)11-4-2-1-3-5-13-24-14-17(16)22/h6-7,9-10,16-17,21-22H,1-5,8,11-14H2/t16-,17+/m0/s1.
What are the key properties of [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone?
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone has a molecular weight of 336.43 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 155998363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).