N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide

C20H24N4O3 — CID 175656500

IUPACN-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILESCC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cnccn2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24N4O3/c1-14(25)24-16-11-17(27-19(12-16)15-5-3-2-4-6-15)7-8-23-20(26)18-13-21-9-10-22-18/h2-6,9-10,13,16-17,19H,7-8,11-12H2,1H3,(H,23,26)(H,24,25)/t16-,17+,19+/m0/s1
InChIKeyLGNCZINAYSSPFO-YQVWRLOYSA-N
MW368.44 g/mol
LogP2.02
Rot. Bonds6

About N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide

N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 175656500) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide
PubChem CID175656500
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILESCC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cnccn2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24N4O3/c1-14(25)24-16-11-17(27-19(12-16)15-5-3-2-4-6-15)7-8-23-20(26)18-13-21-9-10-22-18/h2-6,9-10,13,16-17,19H,7-8,11-12H2,1H3,(H,23,26)(H,24,25)/t16-,17+,19+/m0/s1
InChIKeyLGNCZINAYSSPFO-YQVWRLOYSA-N
XLogP2.02
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide (CID 175656500) is N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide is CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cnccn2)O[C@@H](c2ccccc2)C1.
What is the InChIKey of N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is LGNCZINAYSSPFO-YQVWRLOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(25)24-16-11-17(27-19(12-16)15-5-3-2-4-6-15)7-8-23-20(26)18-13-21-9-10-22-18/h2-6,9-10,13,16-17,19H,7-8,11-12H2,1H3,(H,23,26)(H,24,25)/t16-,17+,19+/m0/s1.
What are the key properties of N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,4S,6R)-4-acetamido-6-phenyloxan-2-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 175656500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).