N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide

C23H29ClN4O4 — CID 129198172

IUPACN-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCc1nc(-c2ccc(Cl)cc2NC(=O)C(C)(C)C)cc(=O)n1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C23H29ClN4O4/c1-14-25-19(17-6-5-15(24)11-18(17)26-22(32)23(2,3)4)12-20(30)28(14)13-21(31)27-9-7-16(29)8-10-27/h5-6,11-12,16,29H,7-10,13H2,1-4H3,(H,26,32)
InChIKeyIPTYBWRINMZLGE-UHFFFAOYSA-N
MW460.96 g/mol
LogP2.84
Rot. Bonds4

About N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide

N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 129198172) has the molecular formula C23H29ClN4O4 and a molecular weight of 460.96 g/mol. Its IUPAC name is N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID129198172
Molecular FormulaC23H29ClN4O4
Molecular Weight460.96 g/mol
Exact Mass460.19
IUPAC NameN-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCc1nc(-c2ccc(Cl)cc2NC(=O)C(C)(C)C)cc(=O)n1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C23H29ClN4O4/c1-14-25-19(17-6-5-15(24)11-18(17)26-22(32)23(2,3)4)12-20(30)28(14)13-21(31)27-9-7-16(29)8-10-27/h5-6,11-12,16,29H,7-10,13H2,1-4H3,(H,26,32)
InChIKeyIPTYBWRINMZLGE-UHFFFAOYSA-N
XLogP2.84
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide (CID 129198172) is N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide is Cc1nc(-c2ccc(Cl)cc2NC(=O)C(C)(C)C)cc(=O)n1CC(=O)N1CCC(O)CC1.
What is the InChIKey of N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is IPTYBWRINMZLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4/c1-14-25-19(17-6-5-15(24)11-18(17)26-22(32)23(2,3)4)12-20(30)28(14)13-21(31)27-9-7-16(29)8-10-27/h5-6,11-12,16,29H,7-10,13H2,1-4H3,(H,26,32).
What are the key properties of N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 460.96 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6-oxopyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 129198172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).