3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide

C14H17N3O2S — CID 114289352

IUPAC3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCC2CCOCC2)sc2cnccc12
InChIInChI=1S/C14H17N3O2S/c15-12-10-1-4-16-8-11(10)20-13(12)14(18)17-7-9-2-5-19-6-3-9/h1,4,8-9H,2-3,5-7,15H2,(H,17,18)
InChIKeyHLMOHQZRKMNRNQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.03
Rot. Bonds3

About 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114289352) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID114289352
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCC2CCOCC2)sc2cnccc12
InChIInChI=1S/C14H17N3O2S/c15-12-10-1-4-16-8-11(10)20-13(12)14(18)17-7-9-2-5-19-6-3-9/h1,4,8-9H,2-3,5-7,15H2,(H,17,18)
InChIKeyHLMOHQZRKMNRNQ-UHFFFAOYSA-N
XLogP2.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-bromo-N-(oxan-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114907958
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
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-(2-thiophen-2-ylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289113
3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106898056

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide (CID 114289352) is 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide is Nc1c(C(=O)NCC2CCOCC2)sc2cnccc12.
What is the InChIKey of 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is HLMOHQZRKMNRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-12-10-1-4-16-8-11(10)20-13(12)14(18)17-7-9-2-5-19-6-3-9/h1,4,8-9H,2-3,5-7,15H2,(H,17,18).
What are the key properties of 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114289352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).