3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

C22H18ClN3OS — CID 23744153

IUPAC3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N
InChIInChI=1S/C22H18ClN3OS/c1-26(13-14-5-3-2-4-6-14)22(27)20-19(24)17-11-12-18(25-21(17)28-20)15-7-9-16(23)10-8-15/h2-12H,13,24H2,1H3
InChIKeyZCSXVYMOJDJSCF-UHFFFAOYSA-N
MW407.93 g/mol
LogP5.47
Rot. Bonds4

About 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23744153) has the molecular formula C22H18ClN3OS and a molecular weight of 407.93 g/mol. Its IUPAC name is 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23744153
Molecular FormulaC22H18ClN3OS
Molecular Weight407.93 g/mol
Exact Mass407.09
IUPAC Name3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N
InChIInChI=1S/C22H18ClN3OS/c1-26(13-14-5-3-2-4-6-14)22(27)20-19(24)17-11-12-18(25-21(17)28-20)15-7-9-16(23)10-8-15/h2-12H,13,24H2,1H3
InChIKeyZCSXVYMOJDJSCF-UHFFFAOYSA-N
XLogP5.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.93
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-N,N,6-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 23999219
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23914363
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 53270913
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663142
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 23744153) is 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N.
What is the InChIKey of 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZCSXVYMOJDJSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3OS/c1-26(13-14-5-3-2-4-6-14)22(27)20-19(24)17-11-12-18(25-21(17)28-20)15-7-9-16(23)10-8-15/h2-12H,13,24H2,1H3.
What are the key properties of 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 407.93 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23744153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).