N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide

C20H24ClN5O4 — CID 54640109

IUPACN-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
SMILESO=C(NCC[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O4/c21-13-1-3-14(4-2-13)25-20(29)24-8-7-15-5-6-16(18(12-27)30-15)26-19(28)17-11-22-9-10-23-17/h1-4,9-11,15-16,18,27H,5-8,12H2,(H,26,28)(H2,24,25,29)/t15-,16-,18+/m1/s1
InChIKeyOWGSILQKVGHWMO-NUJGCVRESA-N
MW433.90 g/mol
LogP1.98
Rot. Bonds7

About N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide

N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide (PubChem CID 54640109) has the molecular formula C20H24ClN5O4 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
PubChem CID54640109
Molecular FormulaC20H24ClN5O4
Molecular Weight433.90 g/mol
Exact Mass433.15
IUPAC NameN-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
SMILESO=C(NCC[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O4/c21-13-1-3-14(4-2-13)25-20(29)24-8-7-15-5-6-16(18(12-27)30-15)26-19(28)17-11-22-9-10-23-17/h1-4,9-11,15-16,18,27H,5-8,12H2,(H,26,28)(H2,24,25,29)/t15-,16-,18+/m1/s1
InChIKeyOWGSILQKVGHWMO-NUJGCVRESA-N
XLogP1.98
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide (CID 54640109) is N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide is O=C(NCC[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide?
The InChIKey is OWGSILQKVGHWMO-NUJGCVRESA-N. The full InChI is InChI=1S/C20H24ClN5O4/c21-13-1-3-14(4-2-13)25-20(29)24-8-7-15-5-6-16(18(12-27)30-15)26-19(28)17-11-22-9-10-23-17/h1-4,9-11,15-16,18,27H,5-8,12H2,(H,26,28)(H2,24,25,29)/t15-,16-,18+/m1/s1.
What are the key properties of N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide?
N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 1.98, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 54640109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).