N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C17H19FN4O — CID 84576179

IUPACN-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H19FN4O/c1-21-8-10-22(11-9-21)16-15(6-3-7-19-16)17(23)20-14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyKYHDZTLUOHBKEN-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.22
Rot. Bonds3

About N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 84576179) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID84576179
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H19FN4O/c1-21-8-10-22(11-9-21)16-15(6-3-7-19-16)17(23)20-14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyKYHDZTLUOHBKEN-UHFFFAOYSA-N
XLogP2.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
N-(3-fluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366981
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 84576829
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 84576179) is N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2ncccc2C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is KYHDZTLUOHBKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-21-8-10-22(11-9-21)16-15(6-3-7-19-16)17(23)20-14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3,(H,20,23).
What are the key properties of N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 84576179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).