3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H15ClN4OS — CID 53382523

IUPAC3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
InChIInChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)
InChIKeyXNCQMFVABACABG-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.47
Rot. Bonds3

About 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53382523) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID53382523
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
InChIInChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)
InChIKeyXNCQMFVABACABG-UHFFFAOYSA-N
XLogP3.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-(4-Chlorophenyl)-9-(2-propyn-1-ylamino)pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one
CID 23634171
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
5-(4-Chlorophenyl)-13-(dimethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118680
13-(4-Chlorophenyl)-10-thia-3,8,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
CID 16659643
5-(4-Methylphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585405
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-chlorophenyl)methanone
CID 698106
3-Amino-4-pyridin-3-yl-6,7-dihydro-5H-1-thia-8-aza-s-indacene-2-carboxylic acid amide
CID 706211
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
3-Amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 766178
3-amino-N-(4-chlorobenzyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004121
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 53382523) is 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl.
What is the InChIKey of 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XNCQMFVABACABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53382523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).