N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide

C25H26FN5O2 — CID 53010611

IUPACN-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2F)cnc1N1CCNCC1
InChIInChI=1S/C25H26FN5O2/c1-30(17-18-7-3-2-4-8-18)25(33)21-15-19(16-28-23(21)31-13-11-27-12-14-31)29-24(32)20-9-5-6-10-22(20)26/h2-10,15-16,27H,11-14,17H2,1H3,(H,29,32)
InChIKeyGYZPILSGBBGYKF-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.15
Rot. Bonds6

About N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide

N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53010611) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53010611
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2F)cnc1N1CCNCC1
InChIInChI=1S/C25H26FN5O2/c1-30(17-18-7-3-2-4-8-18)25(33)21-15-19(16-28-23(21)31-13-11-27-12-14-31)29-24(32)20-9-5-6-10-22(20)26/h2-10,15-16,27H,11-14,17H2,1H3,(H,29,32)
InChIKeyGYZPILSGBBGYKF-UHFFFAOYSA-N
XLogP3.15
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108205
5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108476
5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83290164
N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 163335933
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-[(2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53094461
5-[(2-fluorobenzoyl)amino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53094385
N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828181
5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108494
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113021176
N-butyl-5-[(4-chlorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108196

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide (CID 53010611) is N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2F)cnc1N1CCNCC1.
What is the InChIKey of N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is GYZPILSGBBGYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-30(17-18-7-3-2-4-8-18)25(33)21-15-19(16-28-23(21)31-13-11-27-12-14-31)29-24(32)20-9-5-6-10-22(20)26/h2-10,15-16,27H,11-14,17H2,1H3,(H,29,32).
What are the key properties of N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide?
N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53010611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).