3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C17H15ClN4O3S — CID 23745625

IUPAC3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)c1ccc2c(N)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)sc2n1
InChIInChI=1S/C17H15ClN4O3S/c1-8(2)12-6-4-10-14(19)15(26-17(10)21-12)16(23)20-13-7-9(22(24)25)3-5-11(13)18/h3-8H,19H2,1-2H3,(H,20,23)
InChIKeyYETFECUEVQPZSG-UHFFFAOYSA-N
MW390.85 g/mol
LogP4.82
Rot. Bonds4

About 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23745625) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23745625
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)c1ccc2c(N)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)sc2n1
InChIInChI=1S/C17H15ClN4O3S/c1-8(2)12-6-4-10-14(19)15(26-17(10)21-12)16(23)20-13-7-9(22(24)25)3-5-11(13)18/h3-8H,19H2,1-2H3,(H,20,23)
InChIKeyYETFECUEVQPZSG-UHFFFAOYSA-N
XLogP4.82
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23832639
3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23916849
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
3-amino-N-(2-chloro-5-nitrophenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23916988
5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617284
2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62786667
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
3-amino-N-cyclopropyl-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772104
3-amino-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23858449
3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 90205475
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23745625) is 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is CC(C)c1ccc2c(N)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)sc2n1.
What is the InChIKey of 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YETFECUEVQPZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-8(2)12-6-4-10-14(19)15(26-17(10)21-12)16(23)20-13-7-9(22(24)25)3-5-11(13)18/h3-8H,19H2,1-2H3,(H,20,23).
What are the key properties of 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23745625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).