N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide

C17H20N2O2S — CID 91770476

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C17H20N2O2S/c20-14-9-13(10-14)17(15-4-2-8-22-15)19-16(21)6-5-12-3-1-7-18-11-12/h1-4,7-8,11,13-14,17,20H,5-6,9-10H2,(H,19,21)
InChIKeyUODUJIYFRZBQBV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.70
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide (PubChem CID 91770476) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
PubChem CID91770476
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C17H20N2O2S/c20-14-9-13(10-14)17(15-4-2-8-22-15)19-16(21)6-5-12-3-1-7-18-11-12/h1-4,7-8,11,13-14,17,20H,5-6,9-10H2,(H,19,21)
InChIKeyUODUJIYFRZBQBV-UHFFFAOYSA-N
XLogP2.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 91773302
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91793745
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91779224
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91766589
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91770832
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 91782926
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide
CID 91771364
N-[cyclopentyl(thiophen-2-yl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 47031446
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91763986
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91795005

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide (CID 91770476) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NC(c1cccs1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide?
The InChIKey is UODUJIYFRZBQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-14-9-13(10-14)17(15-4-2-8-22-15)19-16(21)6-5-12-3-1-7-18-11-12/h1-4,7-8,11,13-14,17,20H,5-6,9-10H2,(H,19,21).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 91770476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).