5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one

C18H28N2O5 — CID 155998389

IUPAC5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1
InChIInChI=1S/C18H28N2O5/c21-15-8-10-20(18(24)14-6-7-17(23)19-12-14)9-4-2-1-3-5-11-25-13-16(15)22/h6-7,12,15-16,21-22H,1-5,8-11,13H2,(H,19,23)/t15-,16+/m0/s1
InChIKeyOYMPAFDTUXXVCC-JKSUJKDBSA-N
MW352.43 g/mol
LogP0.91
Rot. Bonds1

About 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one

5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one (PubChem CID 155998389) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one
PubChem CID155998389
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1
InChIInChI=1S/C18H28N2O5/c21-15-8-10-20(18(24)14-6-7-17(23)19-12-14)9-4-2-1-3-5-11-25-13-16(15)22/h6-7,12,15-16,21-22H,1-5,8-11,13H2,(H,19,23)/t15-,16+/m0/s1
InChIKeyOYMPAFDTUXXVCC-JKSUJKDBSA-N
XLogP0.91
TPSA102.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone
CID 155998363
5-[(4R,5S)-4,5-dihydroxy-2-oxa-8-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8-carbonyl]-1H-pyridin-2-one
CID 155992401
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(1-methylpyrazol-4-yl)methanone
CID 155998371
5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 56866375
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
CID 114217645
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(3-methylimidazol-4-yl)methanone
CID 155998373
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one (CID 155998389) is 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCCCCCCOC[C@@H](O)[C@@H](O)CC1.
What is the InChIKey of 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one?
The InChIKey is OYMPAFDTUXXVCC-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H28N2O5/c21-15-8-10-20(18(24)14-6-7-17(23)19-12-14)9-4-2-1-3-5-11-25-13-16(15)22/h6-7,12,15-16,21-22H,1-5,8-11,13H2,(H,19,23)/t15-,16+/m0/s1.
What are the key properties of 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one?
5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one has a molecular weight of 352.43 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 155998389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).