2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide

C17H26N4O5 — CID 74735286

IUPAC2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)NC(=O)NCC1OC(CC(=O)NCc2cccnc2)C(O)C1O
InChIInChI=1S/C17H26N4O5/c1-10(2)21-17(25)20-9-13-16(24)15(23)12(26-13)6-14(22)19-8-11-4-3-5-18-7-11/h3-5,7,10,12-13,15-16,23-24H,6,8-9H2,1-2H3,(H,19,22)(H2,20,21,25)
InChIKeyWVSODEDRNFPRHT-UHFFFAOYSA-N
MW366.42 g/mol
LogP-0.72
Rot. Bonds7

About 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 74735286) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID74735286
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Name2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)NC(=O)NCC1OC(CC(=O)NCc2cccnc2)C(O)C1O
InChIInChI=1S/C17H26N4O5/c1-10(2)21-17(25)20-9-13-16(24)15(23)12(26-13)6-14(22)19-8-11-4-3-5-18-7-11/h3-5,7,10,12-13,15-16,23-24H,6,8-9H2,1-2H3,(H,19,22)(H2,20,21,25)
InChIKeyWVSODEDRNFPRHT-UHFFFAOYSA-N
XLogP-0.72
TPSA132.81 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
CID 162965648
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[(4-methylphenyl)carbamoylamino]methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 162942227
2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 44716537
2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 163134585
N-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]oxolan-2-yl]methyl]-4-(dimethylamino)benzamide
CID 162808102
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 74735156
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659
2-[(1S,4S,5S)-4-[(cyclohexylcarbamoylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 38028459
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide
CID 40777833

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 74735286) is 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide is CC(C)NC(=O)NCC1OC(CC(=O)NCc2cccnc2)C(O)C1O.
What is the InChIKey of 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WVSODEDRNFPRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-10(2)21-17(25)20-9-13-16(24)15(23)12(26-13)6-14(22)19-8-11-4-3-5-18-7-11/h3-5,7,10,12-13,15-16,23-24H,6,8-9H2,1-2H3,(H,19,22)(H2,20,21,25).
What are the key properties of 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of -0.72, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 74735286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).