5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide

C24H31ClN4O2 — CID 118521885

IUPAC5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cn3)c2)CC1
InChIInChI=1S/C24H31ClN4O2/c1-4-24(2,3)28-22(30)18-10-12-29(13-11-18)16-17-6-5-7-20(14-17)27-23(31)21-9-8-19(25)15-26-21/h5-9,14-15,18H,4,10-13,16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyWHJDUGBBTKHXRG-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.50
Rot. Bonds7

About 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide

5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 118521885) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide
PubChem CID118521885
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cn3)c2)CC1
InChIInChI=1S/C24H31ClN4O2/c1-4-24(2,3)28-22(30)18-10-12-29(13-11-18)16-17-6-5-7-20(14-17)27-23(31)21-9-8-19(25)15-26-21/h5-9,14-15,18H,4,10-13,16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyWHJDUGBBTKHXRG-UHFFFAOYSA-N
XLogP4.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide (CID 118521885) is 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide is CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cn3)c2)CC1.
What is the InChIKey of 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is WHJDUGBBTKHXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-4-24(2,3)28-22(30)18-10-12-29(13-11-18)16-17-6-5-7-20(14-17)27-23(31)21-9-8-19(25)15-26-21/h5-9,14-15,18H,4,10-13,16H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide?
5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 442.99 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118521885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).