1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate

C24H38N2O6 — CID 67520455

IUPAC1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
SMILESCCc1c(C)cc(C(=O)NC(C(=O)OC(CO)CO)C(C)C)c(=O)n1CC1CCCCC1
InChIInChI=1S/C24H38N2O6/c1-5-20-16(4)11-19(23(30)26(20)12-17-9-7-6-8-10-17)22(29)25-21(15(2)3)24(31)32-18(13-27)14-28/h11,15,17-18,21,27-28H,5-10,12-14H2,1-4H3,(H,25,29)
InChIKeyNZCOTGMDPSKBOP-UHFFFAOYSA-N
MW450.58 g/mol
LogP1.95
Rot. Bonds10

About 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate

1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate (PubChem CID 67520455) has the molecular formula C24H38N2O6 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
PubChem CID67520455
Molecular FormulaC24H38N2O6
Molecular Weight450.58 g/mol
Exact Mass450.27
IUPAC Name1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
SMILESCCc1c(C)cc(C(=O)NC(C(=O)OC(CO)CO)C(C)C)c(=O)n1CC1CCCCC1
InChIInChI=1S/C24H38N2O6/c1-5-20-16(4)11-19(23(30)26(20)12-17-9-7-6-8-10-17)22(29)25-21(15(2)3)24(31)32-18(13-27)14-28/h11,15,17-18,21,27-28H,5-10,12-14H2,1-4H3,(H,25,29)
InChIKeyNZCOTGMDPSKBOP-UHFFFAOYSA-N
XLogP1.95
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate (CID 67520455) is 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate is CCc1c(C)cc(C(=O)NC(C(=O)OC(CO)CO)C(C)C)c(=O)n1CC1CCCCC1.
What is the InChIKey of 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The InChIKey is NZCOTGMDPSKBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O6/c1-5-20-16(4)11-19(23(30)26(20)12-17-9-7-6-8-10-17)22(29)25-21(15(2)3)24(31)32-18(13-27)14-28/h11,15,17-18,21,27-28H,5-10,12-14H2,1-4H3,(H,25,29).
What are the key properties of 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate has a molecular weight of 450.58 g/mol, XLogP of 1.95, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 67520455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).