2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide

C24H24N4O3S — CID 55874183

IUPAC2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2SC2CCCC2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C24H24N4O3S/c1-31-21-14-17(10-11-20(21)28-22(29)16-6-4-12-25-15-16)27-23(30)19-9-5-13-26-24(19)32-18-7-2-3-8-18/h4-6,9-15,18H,2-3,7-8H2,1H3,(H,27,30)(H,28,29)
InChIKeyFRZSBXUQHMOUGX-UHFFFAOYSA-N
MW448.55 g/mol
LogP5.02
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 55874183) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
PubChem CID55874183
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2SC2CCCC2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C24H24N4O3S/c1-31-21-14-17(10-11-20(21)28-22(29)16-6-4-12-25-15-16)27-23(30)19-9-5-13-26-24(19)32-18-7-2-3-8-18/h4-6,9-15,18H,2-3,7-8H2,1H3,(H,27,30)(H,28,29)
InChIKeyFRZSBXUQHMOUGX-UHFFFAOYSA-N
XLogP5.02
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868
N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845818
2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 55873414
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55872571
N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 47783030
N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55671213
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide (CID 55874183) is 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2SC2CCCC2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is FRZSBXUQHMOUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-31-21-14-17(10-11-20(21)28-22(29)16-6-4-12-25-15-16)27-23(30)19-9-5-13-26-24(19)32-18-7-2-3-8-18/h4-6,9-15,18H,2-3,7-8H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55874183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).