3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C18H17N5O4S — CID 3154865

IUPAC3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc(OC)c1OC
InChIInChI=1S/C18H17N5O4S/c1-25-11-5-9(6-12(26-2)14(11)27-3)22-17(24)15-13(20)10-4-8(7-19)16(21)23-18(10)28-15/h4-6H,20H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyPUPDDUMLHRMTDO-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.61
Rot. Bonds5

About 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3154865) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3154865
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc(OC)c1OC
InChIInChI=1S/C18H17N5O4S/c1-25-11-5-9(6-12(26-2)14(11)27-3)22-17(24)15-13(20)10-4-8(7-19)16(21)23-18(10)28-15/h4-6H,20H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyPUPDDUMLHRMTDO-UHFFFAOYSA-N
XLogP2.61
TPSA145.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 939705
3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 3554887
3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
3,6-diamino-5-cyano-N-(4-cyanocyclohexa-1,3-dien-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 90213432
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 23007537
3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007536
3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007543
3,6-diamino-2-(cyclopropanecarbonyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 3409545
3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23998000
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 3154865) is 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc(OC)c1OC.
What is the InChIKey of 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PUPDDUMLHRMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-25-11-5-9(6-12(26-2)14(11)27-3)22-17(24)15-13(20)10-4-8(7-19)16(21)23-18(10)28-15/h4-6H,20H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3154865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).