N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C18H21N5O2 — CID 97146517

IUPACN-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CN1CCCC1=O
InChIInChI=1S/C18H21N5O2/c1-12(21-16(24)11-23-9-3-4-17(23)25)15-10-20-18(22-13(15)2)14-5-7-19-8-6-14/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyZWQQKELDHNUUII-LBPRGKRZSA-N
MW339.40 g/mol
LogP1.65
Rot. Bonds5

About N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 97146517) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID97146517
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CN1CCCC1=O
InChIInChI=1S/C18H21N5O2/c1-12(21-16(24)11-23-9-3-4-17(23)25)15-10-20-18(22-13(15)2)14-5-7-19-8-6-14/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,24)/t12-/m0/s1
InChIKeyZWQQKELDHNUUII-LBPRGKRZSA-N
XLogP1.65
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3-methylsulfanylpropanamide
CID 26398298
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 97144929
methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
CID 42195430
1-ethyl-3,5-dimethyl-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrazole-4-carboxamide
CID 72933838
2-(2-hydroxyphenoxy)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]acetamide
CID 97117814
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
N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45176025
N-[(1R)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 97260837
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 31360865

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 97146517) is N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is ZWQQKELDHNUUII-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(21-16(24)11-23-9-3-4-17(23)25)15-10-20-18(22-13(15)2)14-5-7-19-8-6-14/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 97146517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).