6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide

C25H23ClFN5O3 — CID 16730301

IUPAC6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(F)c4)c3)cn2)CC1
InChIInChI=1S/C25H23ClFN5O3/c1-16(33)31-9-11-32(12-10-31)23-8-5-18(15-28-23)25(35)29-20-6-7-21(26)22(14-20)30-24(34)17-3-2-4-19(27)13-17/h2-8,13-15H,9-12H2,1H3,(H,29,35)(H,30,34)
InChIKeyBITWEZFDISWMLW-UHFFFAOYSA-N
MW495.94 g/mol
LogP4.05
Rot. Bonds5

About 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 16730301) has the molecular formula C25H23ClFN5O3 and a molecular weight of 495.94 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID16730301
Molecular FormulaC25H23ClFN5O3
Molecular Weight495.94 g/mol
Exact Mass495.15
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(F)c4)c3)cn2)CC1
InChIInChI=1S/C25H23ClFN5O3/c1-16(33)31-9-11-32(12-10-31)23-8-5-18(15-28-23)25(35)29-20-6-7-21(26)22(14-20)30-24(34)17-3-2-4-19(27)13-17/h2-8,13-15H,9-12H2,1H3,(H,29,35)(H,30,34)
InChIKeyBITWEZFDISWMLW-UHFFFAOYSA-N
XLogP4.05
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 69262675
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109155174
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide
CID 66693391
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
1-(2-chlorophenyl)-3-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46053467
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55725650
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-fluorobenzamide
CID 3341571

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide (CID 16730301) is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(F)c4)c3)cn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is BITWEZFDISWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O3/c1-16(33)31-9-11-32(12-10-31)23-8-5-18(15-28-23)25(35)29-20-6-7-21(26)22(14-20)30-24(34)17-3-2-4-19(27)13-17/h2-8,13-15H,9-12H2,1H3,(H,29,35)(H,30,34).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 495.94 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 16730301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).