N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

C21H26N4O2 — CID 166218398

IUPACN-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)19(15-7-5-4-6-8-15)24-20(27)17-13-16(9-10-22-17)25-12-11-23-18(26)14-25/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVFPNGCBRCGMWIW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.54
Rot. Bonds4

About N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 166218398) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
PubChem CID166218398
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-21(2,3)19(15-7-5-4-6-8-15)24-20(27)17-13-16(9-10-22-17)25-12-11-23-18(26)14-25/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVFPNGCBRCGMWIW-UHFFFAOYSA-N
XLogP2.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 65363741
N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126777633
N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 154736412
N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 154743352
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126795682
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674
4-[2-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 62925510
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126766253
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (CID 166218398) is N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is CC(C)(C)C(NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is VFPNGCBRCGMWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,3)19(15-7-5-4-6-8-15)24-20(27)17-13-16(9-10-22-17)25-12-11-23-18(26)14-25/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 166218398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).