3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

C21H22N4O2 — CID 156584575

IUPAC3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESO=C(CCc1cnccn1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C21H22N4O2/c26-21(6-5-17-12-22-9-10-23-17)25-20-14-27-13-16(20)11-15-7-8-24-19-4-2-1-3-18(15)19/h1-4,7-10,12,16,20H,5-6,11,13-14H2,(H,25,26)/t16-,20-/m1/s1
InChIKeyPCKSDRGTQSTHEC-OXQOHEQNSA-N
MW362.43 g/mol
LogP2.33
Rot. Bonds6

About 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 156584575) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID156584575
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESO=C(CCc1cnccn1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C21H22N4O2/c26-21(6-5-17-12-22-9-10-23-17)25-20-14-27-13-16(20)11-15-7-8-24-19-4-2-1-3-18(15)19/h1-4,7-10,12,16,20H,5-6,11,13-14H2,(H,25,26)/t16-,20-/m1/s1
InChIKeyPCKSDRGTQSTHEC-OXQOHEQNSA-N
XLogP2.33
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (CID 156584575) is 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is O=C(CCc1cnccn1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is PCKSDRGTQSTHEC-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(6-5-17-12-22-9-10-23-17)25-20-14-27-13-16(20)11-15-7-8-24-19-4-2-1-3-18(15)19/h1-4,7-10,12,16,20H,5-6,11,13-14H2,(H,25,26)/t16-,20-/m1/s1.
What are the key properties of 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 156584575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).