(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone

C19H12N4O3S — CID 5117411

IUPAC(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone
SMILESNc1c(C(=O)c2cccc([N+](=O)[O-])c2)sc2nc(-c3cccnc3)ccc12
InChIInChI=1S/C19H12N4O3S/c20-16-14-6-7-15(12-4-2-8-21-10-12)22-19(14)27-18(16)17(24)11-3-1-5-13(9-11)23(25)26/h1-10H,20H2
InChIKeyOBCGCZIAEQMENA-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.08
Rot. Bonds4

About (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone

(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone (PubChem CID 5117411) has the molecular formula C19H12N4O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone
PubChem CID5117411
Molecular FormulaC19H12N4O3S
Molecular Weight376.40 g/mol
Exact Mass376.06
IUPAC Name(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone
SMILESNc1c(C(=O)c2cccc([N+](=O)[O-])c2)sc2nc(-c3cccnc3)ccc12
InChIInChI=1S/C19H12N4O3S/c20-16-14-6-7-15(12-4-2-8-21-10-12)22-19(14)27-18(16)17(24)11-3-1-5-13(9-11)23(25)26/h1-10H,20H2
InChIKeyOBCGCZIAEQMENA-UHFFFAOYSA-N
XLogP4.08
TPSA112.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone
CID 23887470
3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 14113060
(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone
CID 23943417
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
CID 86047194
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
(3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
CID 4751820
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
CID 1004090
(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)-(4-nitrophenyl)methanone
CID 23800286
3-nitro-N-propyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451901
6-methyl-N-[(3-nitrophenyl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460094

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone?
The IUPAC name of (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone (CID 5117411) is (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone.
What is the SMILES notation for (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone?
The canonical SMILES for (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone is Nc1c(C(=O)c2cccc([N+](=O)[O-])c2)sc2nc(-c3cccnc3)ccc12.
What is the InChIKey of (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone?
The InChIKey is OBCGCZIAEQMENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3S/c20-16-14-6-7-15(12-4-2-8-21-10-12)22-19(14)27-18(16)17(24)11-3-1-5-13(9-11)23(25)26/h1-10H,20H2.
What are the key properties of (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone?
(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone has a molecular weight of 376.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone is sourced from PubChem (CID 5117411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).