N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide

C16H14FN5O — CID 162760871

IUPACN-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(C)nc2-c2ccc(F)cn2)ccn1
InChIInChI=1S/C16H14FN5O/c1-10(23)20-15-7-11(5-6-18-15)13-9-22(2)21-16(13)14-4-3-12(17)8-19-14/h3-9H,1-2H3,(H,18,20,23)
InChIKeyYJZHWORBAJUGTM-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.64
Rot. Bonds3

About N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide

N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 162760871) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide
PubChem CID162760871
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC NameN-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(C)nc2-c2ccc(F)cn2)ccn1
InChIInChI=1S/C16H14FN5O/c1-10(23)20-15-7-11(5-6-18-15)13-9-22(2)21-16(13)14-4-3-12(17)8-19-14/h3-9H,1-2H3,(H,18,20,23)
InChIKeyYJZHWORBAJUGTM-UHFFFAOYSA-N
XLogP2.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Las-101057
CID 16071896
BI-1935
CID 57861407
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 25227472
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
Cyclohexyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46902013
4-[4-(3,5-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 57749966
Faah-IN-6
CID 57749996

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide (CID 162760871) is N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cn(C)nc2-c2ccc(F)cn2)ccn1.
What is the InChIKey of N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is YJZHWORBAJUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-10(23)20-15-7-11(5-6-18-15)13-9-22(2)21-16(13)14-4-3-12(17)8-19-14/h3-9H,1-2H3,(H,18,20,23).
What are the key properties of N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 162760871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).