N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C14H17N3OS — CID 166298778

IUPACN-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2cc3cccnc3s2)CC(N)C1
InChIInChI=1S/C14H17N3OS/c1-14(6-10(15)7-14)8-17-12(18)11-5-9-3-2-4-16-13(9)19-11/h2-5,10H,6-8,15H2,1H3,(H,17,18)
InChIKeyLXRBFZVQRAKLDR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.15
Rot. Bonds3

About N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 166298778) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID166298778
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2cc3cccnc3s2)CC(N)C1
InChIInChI=1S/C14H17N3OS/c1-14(6-10(15)7-14)8-17-12(18)11-5-9-3-2-4-16-13(9)19-11/h2-5,10H,6-8,15H2,1H3,(H,17,18)
InChIKeyLXRBFZVQRAKLDR-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 136567685
hydron;thieno[2,3-b]pyridine-2-carboxamide
CID 174476240
thieno[2,3-b]pyridine-2-carboxylate
CID 7162094
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25057680
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 66814630
5-[2-(1-benzylpiperidin-4-yl)ethylamino]-5-oxo-2-(thieno[2,3-b]pyridine-2-carbonylamino)pentanoic acid
CID 42636375
2-[(3S)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1-thieno[2,3-b]pyridin-2-ylethanone
CID 161078678
N-[(6S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 164639566
thieno[2,3-b]pyridin-2-ol
CID 89200152
thieno[2,3-b]pyridin-2-ylcarbamic acid
CID 142702940
N-(5,6-difluoro-1H-indol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 169016662
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 166298778) is N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is CC1(CNC(=O)c2cc3cccnc3s2)CC(N)C1.
What is the InChIKey of N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LXRBFZVQRAKLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(6-10(15)7-14)8-17-12(18)11-5-9-3-2-4-16-13(9)19-11/h2-5,10H,6-8,15H2,1H3,(H,17,18).
What are the key properties of N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 166298778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).