N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide

C25H25ClFN5O2 — CID 69262675

IUPACN-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Nc4ccc(F)cc4)c3)cn2)CC1
InChIInChI=1S/C25H25ClFN5O2/c1-2-24(33)32-13-11-31(12-14-32)23-10-3-17(16-28-23)25(34)30-20-8-9-21(26)22(15-20)29-19-6-4-18(27)5-7-19/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,34)
InChIKeyHOJIQEFGRSBMEQ-UHFFFAOYSA-N
MW481.96 g/mol
LogP4.93
Rot. Bonds6

About N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide

N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 69262675) has the molecular formula C25H25ClFN5O2 and a molecular weight of 481.96 g/mol. Its IUPAC name is N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID69262675
Molecular FormulaC25H25ClFN5O2
Molecular Weight481.96 g/mol
Exact Mass481.17
IUPAC NameN-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Nc4ccc(F)cc4)c3)cn2)CC1
InChIInChI=1S/C25H25ClFN5O2/c1-2-24(33)32-13-11-31(12-14-32)23-10-3-17(16-28-23)25(34)30-20-8-9-21(26)22(15-20)29-19-6-4-18(27)5-7-19/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,34)
InChIKeyHOJIQEFGRSBMEQ-UHFFFAOYSA-N
XLogP4.93
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 16730301
N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42850057
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide
CID 91180810
4-chloro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850042
N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 123950096
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152591

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide (CID 69262675) is N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide is CCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Nc4ccc(F)cc4)c3)cn2)CC1.
What is the InChIKey of N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is HOJIQEFGRSBMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O2/c1-2-24(33)32-13-11-31(12-14-32)23-10-3-17(16-28-23)25(34)30-20-8-9-21(26)22(15-20)29-19-6-4-18(27)5-7-19/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,34).
What are the key properties of N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide?
N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 481.96 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 69262675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).