3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

C28H29N3O3S — CID 23801310

IUPAC3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC4CCCCC4)c(N)c23)c1OC
InChIInChI=1S/C28H29N3O3S/c1-33-22-15-9-14-19(25(22)34-2)20-16-21(17-10-5-3-6-11-17)31-28-23(20)24(29)26(35-28)27(32)30-18-12-7-4-8-13-18/h3,5-6,9-11,14-16,18H,4,7-8,12-13,29H2,1-2H3,(H,30,32)
InChIKeyQFXDBZQITJRIGP-UHFFFAOYSA-N
MW487.63 g/mol
LogP6.29
Rot. Bonds6

About 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23801310) has the molecular formula C28H29N3O3S and a molecular weight of 487.63 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23801310
Molecular FormulaC28H29N3O3S
Molecular Weight487.63 g/mol
Exact Mass487.19
IUPAC Name3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC4CCCCC4)c(N)c23)c1OC
InChIInChI=1S/C28H29N3O3S/c1-33-22-15-9-14-19(25(22)34-2)20-16-21(17-10-5-3-6-11-17)31-28-23(20)24(29)26(35-28)27(32)30-18-12-7-4-8-13-18/h3,5-6,9-11,14-16,18H,4,7-8,12-13,29H2,1-2H3,(H,30,32)
InChIKeyQFXDBZQITJRIGP-UHFFFAOYSA-N
XLogP6.29
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.63
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone
CID 3265834
3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22597648
3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23886211
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
[2-[3-amino-2-(cyclopropylcarbamoyl)-4-phenylthieno[2,3-b]pyridin-6-yl]-6-methylcyclohexa-2,4-dien-1-yl]oxidanium
CID 163806447
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
(3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone
CID 35583177
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 23801310) is 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC4CCCCC4)c(N)c23)c1OC.
What is the InChIKey of 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QFXDBZQITJRIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3S/c1-33-22-15-9-14-19(25(22)34-2)20-16-21(17-10-5-3-6-11-17)31-28-23(20)24(29)26(35-28)27(32)30-18-12-7-4-8-13-18/h3,5-6,9-11,14-16,18H,4,7-8,12-13,29H2,1-2H3,(H,30,32).
What are the key properties of 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23801310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).