2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide

C19H28N4O2 — CID 133266394

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
SMILESO=C(CC1NNC2CCCCC21)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C19H28N4O2/c24-13-9-12(10-13)19(16-7-3-4-8-20-16)21-18(25)11-17-14-5-1-2-6-15(14)22-23-17/h3-4,7-8,12-15,17,19,22-24H,1-2,5-6,9-11H2,(H,21,25)
InChIKeyNFYQBRKBLNHDHY-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.44
Rot. Bonds5

About 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide (PubChem CID 133266394) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
PubChem CID133266394
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
SMILESO=C(CC1NNC2CCCCC21)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C19H28N4O2/c24-13-9-12(10-13)19(16-7-3-4-8-20-16)21-18(25)11-17-14-5-1-2-6-15(14)22-23-17/h3-4,7-8,12-15,17,19,22-24H,1-2,5-6,9-11H2,(H,21,25)
InChIKeyNFYQBRKBLNHDHY-UHFFFAOYSA-N
XLogP1.44
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-indol-1-ylacetamide
CID 91766951
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(1H-indol-3-yl)acetamide
CID 91777299
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide
CID 91771364
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-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91782151
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 136704467
3-(1,3-benzothiazol-2-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]propanamide
CID 91761395
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91797524
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91792638

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide (CID 133266394) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide is O=C(CC1NNC2CCCCC21)NC(c1ccccn1)C1CC(O)C1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
The InChIKey is NFYQBRKBLNHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-13-9-12(10-13)19(16-7-3-4-8-20-16)21-18(25)11-17-14-5-1-2-6-15(14)22-23-17/h3-4,7-8,12-15,17,19,22-24H,1-2,5-6,9-11H2,(H,21,25).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 133266394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).