N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide

C14H17N5O2 — CID 91782416

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C14H17N5O2/c20-11-7-10(8-11)14(12-3-1-2-4-15-12)18-13(21)9-19-16-5-6-17-19/h1-6,10-11,14,20H,7-9H2,(H,18,21)
InChIKeyDJRKDGUWRQKJDI-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.30
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide (PubChem CID 91782416) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
PubChem CID91782416
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C14H17N5O2/c20-11-7-10(8-11)14(12-3-1-2-4-15-12)18-13(21)9-19-16-5-6-17-19/h1-6,10-11,14,20H,7-9H2,(H,18,21)
InChIKeyDJRKDGUWRQKJDI-UHFFFAOYSA-N
XLogP0.30
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-indol-1-ylacetamide
CID 91766951
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91774291
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91789713
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide
CID 91771364
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(1H-indol-3-yl)acetamide
CID 91777299
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91782151
3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
CID 91794811
3-(1,3-benzothiazol-2-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]propanamide
CID 91761395
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 133266394
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 136704467
2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91797524
3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide (CID 91782416) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide is O=C(Cn1nccn1)NC(c1ccccn1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide?
The InChIKey is DJRKDGUWRQKJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-11-7-10(8-11)14(12-3-1-2-4-15-12)18-13(21)9-19-16-5-6-17-19/h1-6,10-11,14,20H,7-9H2,(H,18,21).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide is sourced from PubChem (CID 91782416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).