5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C24H33N5O2 — CID 86891532

IUPAC5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)c3ccc(C(=O)N(C)C)nc3C)cc2)CC1
InChIInChI=1S/C24H33N5O2/c1-5-28-12-14-29(15-13-28)17-20-8-6-19(7-9-20)16-25-23(30)21-10-11-22(26-18(21)2)24(31)27(3)4/h6-11H,5,12-17H2,1-4H3,(H,25,30)
InChIKeyDQGJOBSCCTYARV-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.16
Rot. Bonds7

About 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86891532) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86891532
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)c3ccc(C(=O)N(C)C)nc3C)cc2)CC1
InChIInChI=1S/C24H33N5O2/c1-5-28-12-14-29(15-13-28)17-20-8-6-19(7-9-20)16-25-23(30)21-10-11-22(26-18(21)2)24(31)27(3)4/h6-11H,5,12-17H2,1-4H3,(H,25,30)
InChIKeyDQGJOBSCCTYARV-UHFFFAOYSA-N
XLogP2.16
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide 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

2-N,2-N,6-trimethyl-5-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86891529
5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
CID 86890152
2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86890232
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 55746600
5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890470
5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891548
5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891594
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890436
2-chloro-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]quinoline-6-carboxamide
CID 55841102
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057135
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614

Frequently Asked Questions

What is the IUPAC name of 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86891532) is 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is CCN1CCN(Cc2ccc(CNC(=O)c3ccc(C(=O)N(C)C)nc3C)cc2)CC1.
What is the InChIKey of 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is DQGJOBSCCTYARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-5-28-12-14-29(15-13-28)17-20-8-6-19(7-9-20)16-25-23(30)21-10-11-22(26-18(21)2)24(31)27(3)4/h6-11H,5,12-17H2,1-4H3,(H,25,30).
What are the key properties of 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86891532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).