6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol

C13H16N2OS — CID 79782907

IUPAC6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
SMILESCCC(NCc1ccc(O)cn1)c1cccs1
InChIInChI=1S/C13H16N2OS/c1-2-12(13-4-3-7-17-13)15-8-10-5-6-11(16)9-14-10/h3-7,9,12,15-16H,2,8H2,1H3
InChIKeyKTNHHPUFUKNLKA-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.09
Rot. Bonds5

About 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol

6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol (PubChem CID 79782907) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
PubChem CID79782907
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
SMILESCCC(NCc1ccc(O)cn1)c1cccs1
InChIInChI=1S/C13H16N2OS/c1-2-12(13-4-3-7-17-13)15-8-10-5-6-11(16)9-14-10/h3-7,9,12,15-16H,2,8H2,1H3
InChIKeyKTNHHPUFUKNLKA-UHFFFAOYSA-N
XLogP3.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 79781532
6-[(1-hydroxybutan-2-ylamino)methyl]pyridin-3-ol
CID 79776129
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874
6-[(hexan-3-ylamino)methyl]pyridin-3-ol
CID 79784062
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine
CID 79167926
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
2-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79782389

Frequently Asked Questions

What is the IUPAC name of 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol (CID 79782907) is 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol is CCC(NCc1ccc(O)cn1)c1cccs1.
What is the InChIKey of 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol?
The InChIKey is KTNHHPUFUKNLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-12(13-4-3-7-17-13)15-8-10-5-6-11(16)9-14-10/h3-7,9,12,15-16H,2,8H2,1H3.
What are the key properties of 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol?
6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol has a molecular weight of 248.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79782907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).