3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C18H17N3O2S — CID 694347

IUPAC3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C3CC3)nc3sc(C(N)=O)c(N)c23)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-11-6-4-9(5-7-11)12-8-13(10-2-3-10)21-18-14(12)15(19)16(24-18)17(20)22/h4-8,10H,2-3,19H2,1H3,(H2,20,22)
InChIKeyDEMDJSAVMFQUNL-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.53
Rot. Bonds4

About 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 694347) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID694347
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C3CC3)nc3sc(C(N)=O)c(N)c23)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-11-6-4-9(5-7-11)12-8-13(10-2-3-10)21-18-14(12)15(19)16(24-18)17(20)22/h4-8,10H,2-3,19H2,1H3,(H2,20,22)
InChIKeyDEMDJSAVMFQUNL-UHFFFAOYSA-N
XLogP3.53
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

VU0152100
CID 864492
VU0152099
CID 1541501
3,6-Diamino-5-cyano-4-(4-ethoxyphenyl)thieno(2,3-b)pyridine-2-carboxamide
CID 1916699
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-3-isoxazolyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 1201903
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1647025
3-amino-6-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2017205
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-Amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 704064
3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 694347) is 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(C3CC3)nc3sc(C(N)=O)c(N)c23)cc1.
What is the InChIKey of 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DEMDJSAVMFQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-11-6-4-9(5-7-11)12-8-13(10-2-3-10)21-18-14(12)15(19)16(24-18)17(20)22/h4-8,10H,2-3,19H2,1H3,(H2,20,22).
What are the key properties of 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 694347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).