3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide

About 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 138710969) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name	3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID	138710969
Molecular Formula	C23H22N4O2S
Molecular Weight	418.52 g/mol
Exact Mass	418.15
IUPAC Name	3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILES	Nc1c(C(=O)N(C/C=C\CO)C2=CC=CCC2)sc2nc(-c3cccnc3)ccc12
InChI	InChI=1S/C23H22N4O2S/c24-20-18-10-11-19(16-7-6-12-25-15-16)26-22(18)30-21(20)23(29)27(13-4-5-14-28)17-8-2-1-3-9-17/h1-2,4-8,10-12,15,28H,3,9,13-14,24H2/b5-4-
InChIKey	HCHMNSYDLTXWLM-PLNGDYQASA-N
XLogP	4.17
TPSA	92.34 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (CID 138710969) is 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)N(C/C=C\CO)C2=CC=CCC2)sc2nc(-c3cccnc3)ccc12.

What is the InChIKey of 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is HCHMNSYDLTXWLM-PLNGDYQASA-N. The full InChI is InChI=1S/C23H22N4O2S/c24-20-18-10-11-19(16-7-6-12-25-15-16)26-22(18)30-21(20)23(29)27(13-4-5-14-28)17-8-2-1-3-9-17/h1-2,4-8,10-12,15,28H,3,9,13-14,24H2/b5-4-.

What are the key properties of 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-cyclohexa-1,3-dien-1-yl-N-[(Z)-4-hydroxybut-2-enyl]-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 138710969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).