N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide

C26H28ClN5O2 — CID 50828181

IUPACN-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCNCC2)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H28ClN5O2/c1-2-31(18-19-6-4-3-5-7-19)26(34)21-16-23(24(29-17-21)32-14-12-28-13-15-32)30-25(33)20-8-10-22(27)11-9-20/h3-11,16-17,28H,2,12-15,18H2,1H3,(H,30,33)
InChIKeyNJMPUWRTFGERFQ-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.06
Rot. Bonds7

About N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide

N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 50828181) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID50828181
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC NameN-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCNCC2)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H28ClN5O2/c1-2-31(18-19-6-4-3-5-7-19)26(34)21-16-23(24(29-17-21)32-14-12-28-13-15-32)30-25(33)20-8-10-22(27)11-9-20/h3-11,16-17,28H,2,12-15,18H2,1H3,(H,30,33)
InChIKeyNJMPUWRTFGERFQ-UHFFFAOYSA-N
XLogP4.06
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108476
5-(pentanoylamino)-6-piperazin-1-yl-N,N-dipropylpyridine-3-carboxamide
CID 46385001
N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53010611
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
CID 46038514
5-N-benzyl-3-N-(2,5-dimethylphenyl)-5-N-ethylpyridine-3,5-dicarboxamide
CID 109105863
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide
CID 109231167
N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide
CID 50828335
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide (CID 50828181) is N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(N2CCNCC2)c(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is NJMPUWRTFGERFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-2-31(18-19-6-4-3-5-7-19)26(34)21-16-23(24(29-17-21)32-14-12-28-13-15-32)30-25(33)20-8-10-22(27)11-9-20/h3-11,16-17,28H,2,12-15,18H2,1H3,(H,30,33).
What are the key properties of N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide?
N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 478.00 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 50828181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).