N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

C22H24N6O2 — CID 110248574

IUPACN-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N6O2/c1-26-11-12-28(20(15-26)17-7-3-2-4-8-17)21(29)16-27-14-18(13-24-27)25-22(30)19-9-5-6-10-23-19/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,25,30)
InChIKeyIYWTUSYCCAIJOG-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.05
Rot. Bonds5

About N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 110248574) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID110248574
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N6O2/c1-26-11-12-28(20(15-26)17-7-3-2-4-8-17)21(29)16-27-14-18(13-24-27)25-22(30)19-9-5-6-10-23-19/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,25,30)
InChIKeyIYWTUSYCCAIJOG-UHFFFAOYSA-N
XLogP2.05
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide
CID 26350511
4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 127324357
(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 92582208
ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate
CID 26324333
N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634675
N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634671
2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 55437702
N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 26277723
N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634727
(2S)-4-methyl-2-phenyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 51945996

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 110248574) is N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is CN1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C(c2ccccc2)C1.
What is the InChIKey of N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is IYWTUSYCCAIJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-26-11-12-28(20(15-26)17-7-3-2-4-8-17)21(29)16-27-14-18(13-24-27)25-22(30)19-9-5-6-10-23-19/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,25,30).
What are the key properties of N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 110248574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).