N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

C23H28N4O4 — CID 110122829

IUPACN-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1
InChIInChI=1S/C23H28N4O4/c1-13-10-14(2)27(3)22(29)18(13)20(28)24-12-15-6-4-7-16(11-15)19-17-8-5-9-31-21(17)26-23(30)25-19/h4,6-7,10-11,17,19,21H,5,8-9,12H2,1-3H3,(H,24,28)(H2,25,26,30)/t17-,19-,21-/m0/s1
InChIKeyCPGVFUWJXDXEJY-CUWPLCDZSA-N
MW424.50 g/mol
LogP2.04
Rot. Bonds4

About N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 110122829) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID110122829
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1
InChIInChI=1S/C23H28N4O4/c1-13-10-14(2)27(3)22(29)18(13)20(28)24-12-15-6-4-7-16(11-15)19-17-8-5-9-31-21(17)26-23(30)25-19/h4,6-7,10-11,17,19,21H,5,8-9,12H2,1-3H3,(H,24,28)(H2,25,26,30)/t17-,19-,21-/m0/s1
InChIKeyCPGVFUWJXDXEJY-CUWPLCDZSA-N
XLogP2.04
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

4-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]-N-[(4-methylthiadiazol-5-yl)methyl]benzamide
CID 110122876
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496
3-[[[4-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 110122880
N-[3-[[4-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methylamino]-3-oxopropyl]pyridine-3-carboxamide
CID 110122795
4-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172671485
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 97129298
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide;formic acid
CID 163340811
1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
CID 94817888
N-[(3-fluorophenyl)methyl]-6-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 100829706
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (CID 110122829) is N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1.
What is the InChIKey of N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is CPGVFUWJXDXEJY-CUWPLCDZSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-13-10-14(2)27(3)22(29)18(13)20(28)24-12-15-6-4-7-16(11-15)19-17-8-5-9-31-21(17)26-23(30)25-19/h4,6-7,10-11,17,19,21H,5,8-9,12H2,1-3H3,(H,24,28)(H2,25,26,30)/t17-,19-,21-/m0/s1.
What are the key properties of N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4R,4aS,8aS)-2-oxo-1,3,4,4a,5,6,7,8a-octahydropyrano[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110122829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).