3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide

C14H19N3OS — CID 106331585

IUPAC3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C14H19N3OS/c1-4-14(3,5-2)17-13(18)12-11(15)9-6-7-16-8-10(9)19-12/h6-8H,4-5,15H2,1-3H3,(H,17,18)
InChIKeyKTJXDTJAQMZZJA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.19
Rot. Bonds4

About 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 106331585) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID106331585
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C14H19N3OS/c1-4-14(3,5-2)17-13(18)12-11(15)9-6-7-16-8-10(9)19-12/h6-8H,4-5,15H2,1-3H3,(H,17,18)
InChIKeyKTJXDTJAQMZZJA-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
CID 58826843
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-(2,2-difluoro-3-hydroxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106174325
3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289374
3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide
CID 106233064

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide (CID 106331585) is 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide is CCC(C)(CC)NC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is KTJXDTJAQMZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-14(3,5-2)17-13(18)12-11(15)9-6-7-16-8-10(9)19-12/h6-8H,4-5,15H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 106331585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).