N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C22H33N5O2 — CID 126467023

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCc1c(C(=O)NCc2cn(C)nc2C)c(=O)cc(C)n1CCN1CCCCC1
InChIInChI=1S/C22H33N5O2/c1-5-19-21(22(29)23-14-18-15-25(4)24-17(18)3)20(28)13-16(2)27(19)12-11-26-9-7-6-8-10-26/h13,15H,5-12,14H2,1-4H3,(H,23,29)
InChIKeyJFWVDYALJKAPED-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.18
Rot. Bonds7

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 126467023) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID126467023
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCCc1c(C(=O)NCc2cn(C)nc2C)c(=O)cc(C)n1CCN1CCCCC1
InChIInChI=1S/C22H33N5O2/c1-5-19-21(22(29)23-14-18-15-25(4)24-17(18)3)20(28)13-16(2)27(19)12-11-26-9-7-6-8-10-26/h13,15H,5-12,14H2,1-4H3,(H,23,29)
InChIKeyJFWVDYALJKAPED-UHFFFAOYSA-N
XLogP2.18
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 126467023) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is CCc1c(C(=O)NCc2cn(C)nc2C)c(=O)cc(C)n1CCN1CCCCC1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is JFWVDYALJKAPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-5-19-21(22(29)23-14-18-15-25(4)24-17(18)3)20(28)13-16(2)27(19)12-11-26-9-7-6-8-10-26/h13,15H,5-12,14H2,1-4H3,(H,23,29).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126467023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).