methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate

C18H22N4O3 — CID 42195430

IUPACmethyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C
InChIInChI=1S/C18H22N4O3/c1-12(21-16(23)5-4-6-17(24)25-3)15-11-20-18(22-13(15)2)14-7-9-19-10-8-14/h7-12H,4-6H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyGMGMMRPXERYPRH-GFCCVEGCSA-N
MW342.40 g/mol
LogP2.37
Rot. Bonds7

About methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate

methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate (PubChem CID 42195430) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
PubChem CID42195430
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C
InChIInChI=1S/C18H22N4O3/c1-12(21-16(23)5-4-6-17(24)25-3)15-11-20-18(22-13(15)2)14-7-9-19-10-8-14/h7-12H,4-6H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyGMGMMRPXERYPRH-GFCCVEGCSA-N
XLogP2.37
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate with MolForge

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Related Compounds

N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
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CID 97123551
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 26322382
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 45229538
2-(2-hydroxyphenoxy)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]acetamide
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N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 97146516
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
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N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
CID 72933838
4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine
CID 130210346
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 97144929
2-methyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate (CID 42195430) is methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate is COC(=O)CCCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C.
What is the InChIKey of methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate?
The InChIKey is GMGMMRPXERYPRH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(21-16(23)5-4-6-17(24)25-3)15-11-20-18(22-13(15)2)14-7-9-19-10-8-14/h7-12H,4-6H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate?
methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate has a molecular weight of 342.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate is sourced from PubChem (CID 42195430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).