N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide

C18H22N4O3 — CID 91760405

IUPACN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCc2cnccn2)cn1
InChIInChI=1S/C18H22N4O3/c1-13-2-4-15(11-21-13)25-17-6-9-24-12-16(17)22-18(23)5-3-14-10-19-7-8-20-14/h2,4,7-8,10-11,16-17H,3,5-6,9,12H2,1H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyJQGVMMZSNQUONR-SJORKVTESA-N
MW342.40 g/mol
LogP1.47
Rot. Bonds6

About N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide

N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide (PubChem CID 91760405) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
PubChem CID91760405
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCc2cnccn2)cn1
InChIInChI=1S/C18H22N4O3/c1-13-2-4-15(11-21-13)25-17-6-9-24-12-16(17)22-18(23)5-3-14-10-19-7-8-20-14/h2,4,7-8,10-11,16-17H,3,5-6,9,12H2,1H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyJQGVMMZSNQUONR-SJORKVTESA-N
XLogP1.47
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide (CID 91760405) is N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide is Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)CCc2cnccn2)cn1.
What is the InChIKey of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide?
The InChIKey is JQGVMMZSNQUONR-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-2-4-15(11-21-13)25-17-6-9-24-12-16(17)22-18(23)5-3-14-10-19-7-8-20-14/h2,4,7-8,10-11,16-17H,3,5-6,9,12H2,1H3,(H,22,23)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide?
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide has a molecular weight of 342.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 91760405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).