N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide

C17H25N3O3 — CID 91788580

IUPACN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
SMILESO=C(CCc1cnccn1)N[C@@H]1COCC[C@@H]1OCC1CCC1
InChIInChI=1S/C17H25N3O3/c21-17(5-4-14-10-18-7-8-19-14)20-15-12-22-9-6-16(15)23-11-13-2-1-3-13/h7-8,10,13,15-16H,1-6,9,11-12H2,(H,20,21)/t15-,16+/m1/s1
InChIKeySWCZJNXDCJZVER-CVEARBPZSA-N
MW319.40 g/mol
LogP1.50
Rot. Bonds7

About N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide

N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide (PubChem CID 91788580) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
PubChem CID91788580
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
SMILESO=C(CCc1cnccn1)N[C@@H]1COCC[C@@H]1OCC1CCC1
InChIInChI=1S/C17H25N3O3/c21-17(5-4-14-10-18-7-8-19-14)20-15-12-22-9-6-16(15)23-11-13-2-1-3-13/h7-8,10,13,15-16H,1-6,9,11-12H2,(H,20,21)/t15-,16+/m1/s1
InChIKeySWCZJNXDCJZVER-CVEARBPZSA-N
XLogP1.50
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide (CID 91788580) is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide is O=C(CCc1cnccn1)N[C@@H]1COCC[C@@H]1OCC1CCC1.
What is the InChIKey of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide?
The InChIKey is SWCZJNXDCJZVER-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-17(5-4-14-10-18-7-8-19-14)20-15-12-22-9-6-16(15)23-11-13-2-1-3-13/h7-8,10,13,15-16H,1-6,9,11-12H2,(H,20,21)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide?
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide has a molecular weight of 319.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 91788580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).