4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine

C36H38N8O3S2 — CID 157174159

IUPAC4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine
SMILESCc1cc(C)c2cc(C(=O)NC3CN(c4cccnc4)C3)sc2n1.Cc1cc(C)c2cc(C(=O)O)sc2n1.NC1CN(c2cccnc2)C1
InChIInChI=1S/C18H18N4OS.C10H9NO2S.C8H11N3/c1-11-6-12(2)20-18-15(11)7-16(24-18)17(23)21-13-9-22(10-13)14-4-3-5-19-8-14;1-5-3-6(2)11-9-7(5)4-8(14-9)10(12)13;9-7-5-11(6-7)8-2-1-3-10-4-8/h3-8,13H,9-10H2,1-2H3,(H,21,23);3-4H,1-2H3,(H,12,13);1-4,7H,5-6,9H2
InChIKeyANUTYBNMJMGEBU-UHFFFAOYSA-N
MW694.89 g/mol
LogP5.77
Rot. Bonds5

About 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine

4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine (PubChem CID 157174159) has the molecular formula C36H38N8O3S2 and a molecular weight of 694.89 g/mol. Its IUPAC name is 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine
PubChem CID157174159
Molecular FormulaC36H38N8O3S2
Molecular Weight694.89 g/mol
Exact Mass694.25
IUPAC Name4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine
SMILESCc1cc(C)c2cc(C(=O)NC3CN(c4cccnc4)C3)sc2n1.Cc1cc(C)c2cc(C(=O)O)sc2n1.NC1CN(c2cccnc2)C1
InChIInChI=1S/C18H18N4OS.C10H9NO2S.C8H11N3/c1-11-6-12(2)20-18-15(11)7-16(24-18)17(23)21-13-9-22(10-13)14-4-3-5-19-8-14;1-5-3-6(2)11-9-7(5)4-8(14-9)10(12)13;9-7-5-11(6-7)8-2-1-3-10-4-8/h3-8,13H,9-10H2,1-2H3,(H,21,23);3-4H,1-2H3,(H,12,13);1-4,7H,5-6,9H2
InChIKeyANUTYBNMJMGEBU-UHFFFAOYSA-N
XLogP5.77
TPSA150.46 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.89
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine with MolForge

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Related Compounds

4,6-dimethyl-N-(1-piperidin-4-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 167818915
4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
CID 167750453
N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479827
tert-butyl N-(1-pyridin-3-ylpiperidin-3-yl)carbamate;1-pyridin-3-ylpiperidin-3-amine
CID 167592653
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid
CID 166254864
3-amino-N-[(3R)-7-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137488714
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 153311077
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine?
The IUPAC name of 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine (CID 157174159) is 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine.
What is the SMILES notation for 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine?
The canonical SMILES for 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine is Cc1cc(C)c2cc(C(=O)NC3CN(c4cccnc4)C3)sc2n1.Cc1cc(C)c2cc(C(=O)O)sc2n1.NC1CN(c2cccnc2)C1.
What is the InChIKey of 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine?
The InChIKey is ANUTYBNMJMGEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS.C10H9NO2S.C8H11N3/c1-11-6-12(2)20-18-15(11)7-16(24-18)17(23)21-13-9-22(10-13)14-4-3-5-19-8-14;1-5-3-6(2)11-9-7(5)4-8(14-9)10(12)13;9-7-5-11(6-7)8-2-1-3-10-4-8/h3-8,13H,9-10H2,1-2H3,(H,21,23);3-4H,1-2H3,(H,12,13);1-4,7H,5-6,9H2.
What are the key properties of 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine?
4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine has a molecular weight of 694.89 g/mol, XLogP of 5.77, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide;4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;1-pyridin-3-ylazetidin-3-amine is sourced from PubChem (CID 157174159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).