N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide

C24H30ClN3O2 — CID 91221472

IUPACN-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide
SMILESCC(C=O)C(CN1CCC(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccnc1
InChIInChI=1S/C24H30ClN3O2/c1-17(15-29)22(27-23(30)19-5-4-11-26-13-19)14-28-12-10-21(24(2,3)16-28)18-6-8-20(25)9-7-18/h4-9,11,13,15,17,21-22H,10,12,14,16H2,1-3H3,(H,27,30)
InChIKeyRFEWRYPUJXTNPT-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.18
Rot. Bonds7

About N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide

N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide (PubChem CID 91221472) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide
PubChem CID91221472
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide
SMILESCC(C=O)C(CN1CCC(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccnc1
InChIInChI=1S/C24H30ClN3O2/c1-17(15-29)22(27-23(30)19-5-4-11-26-13-19)14-28-12-10-21(24(2,3)16-28)18-6-8-20(25)9-7-18/h4-9,11,13,15,17,21-22H,10,12,14,16H2,1-3H3,(H,27,30)
InChIKeyRFEWRYPUJXTNPT-UHFFFAOYSA-N
XLogP4.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide (CID 91221472) is N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide is CC(C=O)C(CN1CCC(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccnc1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide?
The InChIKey is RFEWRYPUJXTNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-17(15-29)22(27-23(30)19-5-4-11-26-13-19)14-28-12-10-21(24(2,3)16-28)18-6-8-20(25)9-7-18/h4-9,11,13,15,17,21-22H,10,12,14,16H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide?
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91221472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).