3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C18H25N3O2S — CID 70852595

IUPAC3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(CC(C)O)c2c(N)c(C(=O)NC3CCCCC3)sc2n1
InChIInChI=1S/C18H25N3O2S/c1-10-8-12(9-11(2)22)14-15(19)16(24-18(14)20-10)17(23)21-13-6-4-3-5-7-13/h8,11,13,22H,3-7,9,19H2,1-2H3,(H,21,23)
InChIKeyXBORMPMMQPGJDD-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.17
Rot. Bonds4

About 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 70852595) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID70852595
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(CC(C)O)c2c(N)c(C(=O)NC3CCCCC3)sc2n1
InChIInChI=1S/C18H25N3O2S/c1-10-8-12(9-11(2)22)14-15(19)16(24-18(14)20-10)17(23)21-13-6-4-3-5-7-13/h8,11,13,22H,3-7,9,19H2,1-2H3,(H,21,23)
InChIKeyXBORMPMMQPGJDD-UHFFFAOYSA-N
XLogP3.17
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 46696989
3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382481
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542
3-amino-4,6-dimethyl-N-(thiolan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 103065140
3-amino-N-cyclopropyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778662
3-amino-4,6-dimethyl-N-(oxan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81037821
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155
6-amino-N-cycloheptyl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23997917
3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 11551836
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 143221937

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 70852595) is 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(CC(C)O)c2c(N)c(C(=O)NC3CCCCC3)sc2n1.
What is the InChIKey of 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XBORMPMMQPGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-10-8-12(9-11(2)22)14-15(19)16(24-18(14)20-10)17(23)21-13-6-4-3-5-7-13/h8,11,13,22H,3-7,9,19H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 70852595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).