2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide

C19H24N4O4 — CID 137225405

IUPAC2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
SMILESCCc1nc(C)c(CC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c(=O)[nH]1
InChIInChI=1S/C19H24N4O4/c1-3-16-20-12(2)14(18(25)22-16)10-17(24)21-13-6-4-8-23(11-13)19(26)15-7-5-9-27-15/h5,7,9,13H,3-4,6,8,10-11H2,1-2H3,(H,21,24)(H,20,22,25)/t13-/m0/s1
InChIKeyRVCCAZXYRLQYGU-ZDUSSCGKSA-N
MW372.43 g/mol
LogP1.20
Rot. Bonds5

About 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide

2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 137225405) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID137225405
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
SMILESCCc1nc(C)c(CC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c(=O)[nH]1
InChIInChI=1S/C19H24N4O4/c1-3-16-20-12(2)14(18(25)22-16)10-17(24)21-13-6-4-8-23(11-13)19(26)15-7-5-9-27-15/h5,7,9,13H,3-4,6,8,10-11H2,1-2H3,(H,21,24)(H,20,22,25)/t13-/m0/s1
InChIKeyRVCCAZXYRLQYGU-ZDUSSCGKSA-N
XLogP1.20
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide
CID 131933032
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 131907095
N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide
CID 131897899
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95221445
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetyl]furan-2-carbohydrazide
CID 135492724
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 136917886
furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 131907567
N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74247026

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide (CID 137225405) is 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide is CCc1nc(C)c(CC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is RVCCAZXYRLQYGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-16-20-12(2)14(18(25)22-16)10-17(24)21-13-6-4-8-23(11-13)19(26)15-7-5-9-27-15/h5,7,9,13H,3-4,6,8,10-11H2,1-2H3,(H,21,24)(H,20,22,25)/t13-/m0/s1.
What are the key properties of 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide?
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 137225405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).