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

C16H13N5OS — CID 939705

IUPAC3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c1
InChIInChI=1S/C16H13N5OS/c1-8-3-2-4-10(5-8)20-15(22)13-12(18)11-6-9(7-17)14(19)21-16(11)23-13/h2-6H,18H2,1H3,(H2,19,21)(H,20,22)
InChIKeyRLJFTAGEZUJUDN-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.89
Rot. Bonds2

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

3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 939705) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID939705
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c1
InChIInChI=1S/C16H13N5OS/c1-8-3-2-4-10(5-8)20-15(22)13-12(18)11-6-9(7-17)14(19)21-16(11)23-13/h2-6H,18H2,1H3,(H2,19,21)(H,20,22)
InChIKeyRLJFTAGEZUJUDN-UHFFFAOYSA-N
XLogP2.89
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
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-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3154865
3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 3554887
3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 23007537
3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007543
3-amino-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667
3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866592
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1035102
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-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 939705) is 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c1.
What is the InChIKey of 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RLJFTAGEZUJUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-8-3-2-4-10(5-8)20-15(22)13-12(18)11-6-9(7-17)14(19)21-16(11)23-13/h2-6H,18H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 939705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).