N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide

C26H34ClN3O3 — CID 25141158

IUPACN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1
InChIInChI=1S/C26H34ClN3O3/c1-17-13-18(2)28-15-21(17)23(32)29-25(5,6)14-22(31)30-12-11-26(33,24(3,4)16-30)19-7-9-20(27)10-8-19/h7-10,13,15,33H,11-12,14,16H2,1-6H3,(H,29,32)/t26-/m0/s1
InChIKeyGCYSXKQMSATATM-SANMLTNESA-N
MW472.03 g/mol
LogP4.40
Rot. Bonds5

About N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide

N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide (PubChem CID 25141158) has the molecular formula C26H34ClN3O3 and a molecular weight of 472.03 g/mol. Its IUPAC name is N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide
PubChem CID25141158
Molecular FormulaC26H34ClN3O3
Molecular Weight472.03 g/mol
Exact Mass471.23
IUPAC NameN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1
InChIInChI=1S/C26H34ClN3O3/c1-17-13-18(2)28-15-21(17)23(32)29-25(5,6)14-22(31)30-12-11-26(33,24(3,4)16-30)19-7-9-20(27)10-8-19/h7-10,13,15,33H,11-12,14,16H2,1-6H3,(H,29,32)/t26-/m0/s1
InChIKeyGCYSXKQMSATATM-SANMLTNESA-N
XLogP4.40
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.03
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide (CID 25141158) is N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1.
What is the InChIKey of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is GCYSXKQMSATATM-SANMLTNESA-N. The full InChI is InChI=1S/C26H34ClN3O3/c1-17-13-18(2)28-15-21(17)23(32)29-25(5,6)14-22(31)30-12-11-26(33,24(3,4)16-30)19-7-9-20(27)10-8-19/h7-10,13,15,33H,11-12,14,16H2,1-6H3,(H,29,32)/t26-/m0/s1.
What are the key properties of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide?
N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 472.03 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 25141158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).