N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide

C14H16N2O2S — CID 47042880

IUPACN-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccsc2)cn1
InChIInChI=1S/C14H16N2O2S/c1-10(2)18-13-4-3-11(7-15-13)8-16-14(17)12-5-6-19-9-12/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKeyNDDOIYIRZUYHRB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.86
Rot. Bonds5

About N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide

N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide (PubChem CID 47042880) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
PubChem CID47042880
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccsc2)cn1
InChIInChI=1S/C14H16N2O2S/c1-10(2)18-13-4-3-11(7-15-13)8-16-14(17)12-5-6-19-9-12/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKeyNDDOIYIRZUYHRB-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
4-[4-[(6-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56546047
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 51953041
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55847190
2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 112842813
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091815

Frequently Asked Questions

What is the IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide (CID 47042880) is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide is CC(C)Oc1ccc(CNC(=O)c2ccsc2)cn1.
What is the InChIKey of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide?
The InChIKey is NDDOIYIRZUYHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(2)18-13-4-3-11(7-15-13)8-16-14(17)12-5-6-19-9-12/h3-7,9-10H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide?
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47042880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).