2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide

C23H25N5O2S — CID 55953413

IUPAC2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)c2cccnc2SC2CCCC2)c1
InChIInChI=1S/C23H25N5O2S/c29-21(16-28-13-5-12-26-28)27-18-7-3-6-17(14-18)15-25-22(30)20-10-4-11-24-23(20)31-19-8-1-2-9-19/h3-7,10-14,19H,1-2,8-9,15-16H2,(H,25,30)(H,27,29)
InChIKeyNPWQTAZBPOOLGQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.88
Rot. Bonds8

About 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55953413) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID55953413
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)c2cccnc2SC2CCCC2)c1
InChIInChI=1S/C23H25N5O2S/c29-21(16-28-13-5-12-26-28)27-18-7-3-6-17(14-18)15-25-22(30)20-10-4-11-24-23(20)31-19-8-1-2-9-19/h3-7,10-14,19H,1-2,8-9,15-16H2,(H,25,30)(H,27,29)
InChIKeyNPWQTAZBPOOLGQ-UHFFFAOYSA-N
XLogP3.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
CID 87037167
2-methyl-3-nitro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953520
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55979110
2-(4-piperidin-1-ylsulfonylphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55978727
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55954809
2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 55873414
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55872571
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 55953413) is 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is O=C(Cn1cccn1)Nc1cccc(CNC(=O)c2cccnc2SC2CCCC2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NPWQTAZBPOOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c29-21(16-28-13-5-12-26-28)27-18-7-3-6-17(14-18)15-25-22(30)20-10-4-11-24-23(20)31-19-8-1-2-9-19/h3-7,10-14,19H,1-2,8-9,15-16H2,(H,25,30)(H,27,29).
What are the key properties of 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55953413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).