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

C24H22N6O4S — CID 23998000

IUPAC3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(-c2c(C#N)c(N)nc3sc(C(=O)Nc4cccc(C)n4)c(N)c23)cc(OC)c1OC
InChIInChI=1S/C24H22N6O4S/c1-11-6-5-7-16(28-11)29-23(31)21-19(26)18-17(13(10-25)22(27)30-24(18)35-21)12-8-14(32-2)20(34-4)15(9-12)33-3/h5-9H,26H2,1-4H3,(H2,27,30)(H,28,29,31)
InChIKeyKPBGXLNBVMSIGN-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.98
Rot. Bonds6

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

3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23998000) has the molecular formula C24H22N6O4S and a molecular weight of 490.55 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23998000
Molecular FormulaC24H22N6O4S
Molecular Weight490.55 g/mol
Exact Mass490.14
IUPAC Name3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(-c2c(C#N)c(N)nc3sc(C(=O)Nc4cccc(C)n4)c(N)c23)cc(OC)c1OC
InChIInChI=1S/C24H22N6O4S/c1-11-6-5-7-16(28-11)29-23(31)21-19(26)18-17(13(10-25)22(27)30-24(18)35-21)12-8-14(32-2)20(34-4)15(9-12)33-3/h5-9H,26H2,1-4H3,(H2,27,30)(H,28,29,31)
InChIKeyKPBGXLNBVMSIGN-UHFFFAOYSA-N
XLogP3.98
TPSA158.40 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

3,6-diamino-5-cyano-N-[(4-methylphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23942252
3,6-diamino-5-cyano-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997955
3,6-diamino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-cyano-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23998043
3,6-diamino-5-cyano-N,4-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23733033
3,6-diamino-5-cyano-N-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 6618684
3,6-diamino-N-(5-chloro-2-pyridinyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059793
3,6-diamino-5-cyano-N-(2-methylphenyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1042928
ethyl 3,6-diamino-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 23775054
3,6-diamino-4-[3-[3-[(2-aminoacetyl)amino]phenyl]-4-methoxyphenyl]-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 67348331
3,6-diamino-5-cyano-4-[4-methoxy-3-[(2,3,5-trifluoro-4-methylbenzoyl)amino]phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 87366628
3,6-diamino-N-tert-butyl-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23830110
3,6-diamino-5-cyano-4-(4-ethylphenyl)-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23914346

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23998000) is 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cc(-c2c(C#N)c(N)nc3sc(C(=O)Nc4cccc(C)n4)c(N)c23)cc(OC)c1OC.
What is the InChIKey of 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KPBGXLNBVMSIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4S/c1-11-6-5-7-16(28-11)29-23(31)21-19(26)18-17(13(10-25)22(27)30-24(18)35-21)12-8-14(32-2)20(34-4)15(9-12)33-3/h5-9H,26H2,1-4H3,(H2,27,30)(H,28,29,31).
What are the key properties of 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-N-(6-methyl-2-pyridinyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23998000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).