N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide

C17H21N3O3 — CID 94632802

IUPACN-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NC[C@@H]1CCCOC1
InChIInChI=1S/C17H21N3O3/c21-16-11-19-20(15-6-2-1-5-14(15)16)8-7-17(22)18-10-13-4-3-9-23-12-13/h1-2,5-6,11,13H,3-4,7-10,12H2,(H,18,22)/t13-/m0/s1
InChIKeyLAVILBTZJBFNAU-ZDUSSCGKSA-N
MW315.37 g/mol
LogP1.33
Rot. Bonds5

About N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide

N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 94632802) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID94632802
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NC[C@@H]1CCCOC1
InChIInChI=1S/C17H21N3O3/c21-16-11-19-20(15-6-2-1-5-14(15)16)8-7-17(22)18-10-13-4-3-9-23-12-13/h1-2,5-6,11,13H,3-4,7-10,12H2,(H,18,22)/t13-/m0/s1
InChIKeyLAVILBTZJBFNAU-ZDUSSCGKSA-N
XLogP1.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 94096632
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 98784775
tert-butyl N-[(1R,2R)-2-[3-(4-oxocinnolin-1-yl)propanoylamino]cyclohexyl]carbamate
CID 51965377
3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56686282
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 60577994
N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 95156093
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 94632810
3-(1-hydroxynaphthalen-2-yl)-N-[[(3S)-oxan-3-yl]methyl]propanamide
CID 125144272
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 94632802) is N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)NC[C@@H]1CCCOC1.
What is the InChIKey of N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is LAVILBTZJBFNAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16-11-19-20(15-6-2-1-5-14(15)16)8-7-17(22)18-10-13-4-3-9-23-12-13/h1-2,5-6,11,13H,3-4,7-10,12H2,(H,18,22)/t13-/m0/s1.
What are the key properties of N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 94632802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).