N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide

C20H28N2O2S — CID 71563277

IUPACN-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc21
InChIInChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
InChIKeyFZAWWBUFWDNIHB-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.62
Rot. Bonds6

About N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide

N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide (PubChem CID 71563277) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
PubChem CID71563277
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc21
InChIInChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
InChIKeyFZAWWBUFWDNIHB-UHFFFAOYSA-N
XLogP4.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
CID 71563278
N-(1-adamantyl)-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
CID 71563279
2,3,7-trimethyl-N-[(4-methylphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 20657879
N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
CID 54219356
N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
CID 59396780
N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 86763276
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 87056457
ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide
CID 90939126
7-Methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 91293974
N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane
CID 91331713
ethane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
CID 91589687
6-cyclopentyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118539748

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide (CID 71563277) is N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc21.
What is the InChIKey of N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is FZAWWBUFWDNIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24).
What are the key properties of N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide?
N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 71563277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).