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

C17H20N4O2 — CID 91771364

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide
SMILESO=C(CCc1cnccn1)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C17H20N4O2/c22-14-9-12(10-14)17(15-3-1-2-6-20-15)21-16(23)5-4-13-11-18-7-8-19-13/h1-3,6-8,11-12,14,17,22H,4-5,9-10H2,(H,21,23)
InChIKeyYGGRQOAMXCQQRE-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.43
Rot. Bonds6

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

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide (PubChem CID 91771364) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide
PubChem CID91771364
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide
SMILESO=C(CCc1cnccn1)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C17H20N4O2/c22-14-9-12(10-14)17(15-3-1-2-6-20-15)21-16(23)5-4-13-11-18-7-8-19-13/h1-3,6-8,11-12,14,17,22H,4-5,9-10H2,(H,21,23)
InChIKeyYGGRQOAMXCQQRE-UHFFFAOYSA-N
XLogP1.43
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]propanamide
CID 91761395
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91782151
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91774291
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
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91789713
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 133266394
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
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
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide (CID 91771364) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide is O=C(CCc1cnccn1)NC(c1ccccn1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide?
The InChIKey is YGGRQOAMXCQQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-14-9-12(10-14)17(15-3-1-2-6-20-15)21-16(23)5-4-13-11-18-7-8-19-13/h1-3,6-8,11-12,14,17,22H,4-5,9-10H2,(H,21,23).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide has a molecular weight of 312.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 91771364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).