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

C16H18N2O2S — CID 91764411

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C16H18N2O2S/c19-13-8-12(9-13)16(14-4-2-6-21-14)18-15(20)7-11-3-1-5-17-10-11/h1-6,10,12-13,16,19H,7-9H2,(H,18,20)
InChIKeyLWIJPFIHSZELPP-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.31
Rot. Bonds5

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

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide (PubChem CID 91764411) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
PubChem CID91764411
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C16H18N2O2S/c19-13-8-12(9-13)16(14-4-2-6-21-14)18-15(20)7-11-3-1-5-17-10-11/h1-6,10,12-13,16,19H,7-9H2,(H,18,20)
InChIKeyLWIJPFIHSZELPP-UHFFFAOYSA-N
XLogP2.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 91770476
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 91782926
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91793745
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 91773302
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91770832
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
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91779224
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
CID 91764754
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91766589

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide (CID 91764411) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NC(c1cccs1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide?
The InChIKey is LWIJPFIHSZELPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-13-8-12(9-13)16(14-4-2-6-21-14)18-15(20)7-11-3-1-5-17-10-11/h1-6,10,12-13,16,19H,7-9H2,(H,18,20).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide has a molecular weight of 302.40 g/mol, XLogP of 2.31, 5 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]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 91764411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).