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

C18H17N3O3S — CID 23887470

IUPAC[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone
SMILESCC(C)Cc1ccc2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)sc2n1
InChIInChI=1S/C18H17N3O3S/c1-10(2)8-12-6-7-14-15(19)17(25-18(14)20-12)16(22)11-4-3-5-13(9-11)21(23)24/h3-7,9-10H,8,19H2,1-2H3
InChIKeyFXRRDMWYFOMERF-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.22
Rot. Bonds5

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

[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone (PubChem CID 23887470) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone
PubChem CID23887470
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone
SMILESCC(C)Cc1ccc2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)sc2n1
InChIInChI=1S/C18H17N3O3S/c1-10(2)8-12-6-7-14-15(19)17(25-18(14)20-12)16(22)11-4-3-5-13(9-11)21(23)24/h3-7,9-10H,8,19H2,1-2H3
InChIKeyFXRRDMWYFOMERF-UHFFFAOYSA-N
XLogP4.22
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
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-6-butylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone
CID 23943417
(3-amino-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3-nitrophenyl)methanone
CID 5117411
3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 949210
(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)-(4-nitrophenyl)methanone
CID 23800286
[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 23802491
3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23832664
3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23942272
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997986
[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
CID 86047194
3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23745625
1-[4-[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 87048518
3-amino-N-(4-ethoxyphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745634

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone?
The IUPAC name of [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone (CID 23887470) is [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone.
What is the SMILES notation for [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone?
The canonical SMILES for [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone is CC(C)Cc1ccc2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)sc2n1.
What is the InChIKey of [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone?
The InChIKey is FXRRDMWYFOMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-10(2)8-12-6-7-14-15(19)17(25-18(14)20-12)16(22)11-4-3-5-13(9-11)21(23)24/h3-7,9-10H,8,19H2,1-2H3.
What are the key properties of [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone?
[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone has a molecular weight of 355.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone is sourced from PubChem (CID 23887470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).