N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C26H34F3N5O5 — CID 163335933

IUPACN-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2OC)cnc1N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H33N5O3.C2HF3O2/c1-4-6-13-28(5-2)24(31)20-16-18(17-26-22(20)29-14-11-25-12-15-29)27-23(30)19-9-7-8-10-21(19)32-3;3-2(4,5)1(6)7/h7-10,16-17,25H,4-6,11-15H2,1-3H3,(H,27,30);(H,6,7)
InChIKeyYYKJIQKTZVCTFD-UHFFFAOYSA-N
MW553.58 g/mol
LogP3.65
Rot. Bonds9

About N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 163335933) has the molecular formula C26H34F3N5O5 and a molecular weight of 553.58 g/mol. Its IUPAC name is N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID163335933
Molecular FormulaC26H34F3N5O5
Molecular Weight553.58 g/mol
Exact Mass553.25
IUPAC NameN-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2OC)cnc1N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H33N5O3.C2HF3O2/c1-4-6-13-28(5-2)24(31)20-16-18(17-26-22(20)29-14-11-25-12-15-29)27-23(30)19-9-7-8-10-21(19)32-3;3-2(4,5)1(6)7/h7-10,16-17,25H,4-6,11-15H2,1-3H3,(H,27,30);(H,6,7)
InChIKeyYYKJIQKTZVCTFD-UHFFFAOYSA-N
XLogP3.65
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.58
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108476
N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53010611
N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide
CID 46381980
N-butyl-N-ethyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146071543
5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108494
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid
CID 53094092
ethyl 1-[5-[(4-fluorobenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 146062774
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094094
N-butyl-5-[(4-chlorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108196
2-methoxy-N-(3-methylbutyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061557
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060590

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 163335933) is N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CCCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2OC)cnc1N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YYKJIQKTZVCTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3.C2HF3O2/c1-4-6-13-28(5-2)24(31)20-16-18(17-26-22(20)29-14-11-25-12-15-29)27-23(30)19-9-7-8-10-21(19)32-3;3-2(4,5)1(6)7/h7-10,16-17,25H,4-6,11-15H2,1-3H3,(H,27,30);(H,6,7).
What are the key properties of N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 553.58 g/mol, XLogP of 3.65, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 163335933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).